REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1k3v_1_A DATA FIRST_RESID 38 DATA SEQUENCE GVGVSTGTFN NQTEFQYLGE GLVRITAHAS RLIHLNMPEH ETYKRIHVLN DATA SEQUENCE SESGVAGQMV QDDAHTQMVT PWSLIDANAW GVWFNPADWQ LISNNMTEIN DATA SEQUENCE LVSFEQEIFN VVLKTITESA TSPPTKIYNN DLTASLMVAL DTNNTLPYTP DATA SEQUENCE AAPRSETLGF YPWLPTKPTQ YRYYLSCIRN LNPPTYTGQS QQITDSIQTG DATA SEQUENCE LHSDIMFYTI ENAVPIHLLR TGDEFSTGIY HFDTKPLKLT HSWQTNRSLG DATA SEQUENCE LPPKLLTEPT TEGDQHPGTL PAANTRKGYH QTINNSYTEA TAIRPAQVGY DATA SEQUENCE NTPYMNFEYS NGGPFLTPIV PTADTQYNDD EPNGAIRFTM DYQHGHLTTS DATA SEQUENCE SQELERYTFN PQSKCGRAPK QQFNQQAPLN LENTNNGTLL PSDPIGGKSN DATA SEQUENCE MHFMNTLNTY GPLTALNNTA PVFPNGQIWD KELDTDLKPR LHVTAPFVCK DATA SEQUENCE NNPPGQLFVK IAPNLTDDFN ADSPQQPRII TYSNFWWKGT LTFTAKMRSS DATA SEQUENCE NMWNPIQQHT TTAENIGNYI PTNIGGIRMF PEYSQLIPRK LY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 38 G HA2 0.000 nan 3.960 nan 0.000 0.244 38 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 38 G C 0.000 174.921 174.900 0.036 0.000 0.946 38 G CA 0.000 45.119 45.100 0.031 0.000 0.502 39 V N 1.373 121.306 119.914 0.031 0.000 2.233 39 V HA 0.058 4.178 4.120 -0.000 0.000 0.247 39 V C 2.208 178.324 176.094 0.037 0.000 1.050 39 V CA 3.147 65.467 62.300 0.033 0.000 1.010 39 V CB -0.340 31.499 31.823 0.027 0.000 0.637 39 V HN 0.488 nan 8.190 nan 0.000 0.444 40 G N -0.367 108.452 108.800 0.031 0.000 3.279 40 G HA2 0.340 4.300 3.960 -0.000 0.000 0.230 40 G HA3 0.340 4.300 3.960 -0.000 0.000 0.230 40 G C -0.002 174.918 174.900 0.032 0.000 1.230 40 G CA 0.460 45.579 45.100 0.031 0.000 0.891 40 G HN 0.444 nan 8.290 nan 0.000 0.518 41 V N 0.115 120.052 119.914 0.038 0.000 2.680 41 V HA 0.416 4.536 4.120 -0.000 0.000 0.309 41 V C 0.061 176.186 176.094 0.052 0.000 1.052 41 V CA -0.808 61.514 62.300 0.037 0.000 0.908 41 V CB 1.944 33.785 31.823 0.031 0.000 1.001 41 V HN 0.119 nan 8.190 nan 0.000 0.431 42 S N 1.979 117.708 115.700 0.049 0.000 2.548 42 S HA 0.205 4.675 4.470 -0.000 0.000 0.277 42 S C 1.297 175.949 174.600 0.086 0.000 1.315 42 S CA 0.143 58.388 58.200 0.074 0.000 1.050 42 S CB 1.395 64.625 63.200 0.049 0.000 0.918 42 S HN 1.042 nan 8.310 nan 0.000 0.497 43 T N 1.373 116.017 114.554 0.149 0.000 2.852 43 T HA 0.224 4.574 4.350 -0.000 0.000 0.256 43 T C 0.977 175.724 174.700 0.078 0.000 1.038 43 T CA 0.521 62.703 62.100 0.137 0.000 1.141 43 T CB -0.313 68.677 68.868 0.203 0.000 0.869 43 T HN 0.604 nan 8.240 nan 0.000 0.439 44 G N -0.457 108.432 108.800 0.149 0.000 3.107 44 G HA2 0.584 4.544 3.960 -0.000 0.000 0.232 44 G HA3 0.584 4.544 3.960 -0.000 0.000 0.232 44 G C -1.319 173.304 174.900 -0.463 0.000 1.339 44 G CA -0.549 44.294 45.100 -0.429 0.000 1.033 44 G HN 0.322 nan 8.290 nan 0.000 0.567 45 T N -0.499 113.544 114.554 -0.852 0.000 2.909 45 T HA 0.493 4.843 4.350 -0.000 0.000 0.299 45 T C -1.733 172.818 174.700 -0.248 0.000 1.073 45 T CA -0.340 61.551 62.100 -0.347 0.000 0.999 45 T CB 1.286 70.014 68.868 -0.233 0.000 1.098 45 T HN 0.356 nan 8.240 nan 0.000 0.477 46 F N 4.504 124.414 119.950 -0.066 0.000 2.394 46 F HA 0.701 5.228 4.527 -0.000 0.000 0.340 46 F C 0.096 175.899 175.800 0.005 0.000 1.105 46 F CA -0.680 57.363 58.000 0.071 0.000 1.124 46 F CB 0.647 39.680 39.000 0.054 0.000 1.145 46 F HN 0.426 nan 8.300 nan 0.000 0.505 47 N N 4.849 123.276 118.700 -0.454 0.000 2.648 47 N HA 0.114 4.854 4.740 -0.000 0.000 0.272 47 N C -2.021 173.330 175.510 -0.265 0.000 1.118 47 N CA -0.265 52.665 53.050 -0.200 0.000 0.973 47 N CB 1.051 39.376 38.487 -0.270 0.000 1.565 47 N HN 0.796 nan 8.380 nan 0.000 0.542 48 N N 2.831 121.546 118.700 0.025 0.000 2.599 48 N HA 0.153 4.893 4.740 -0.000 0.000 0.309 48 N C -0.907 174.758 175.510 0.258 0.000 1.743 48 N CA -0.044 53.084 53.050 0.130 0.000 0.918 48 N CB 0.811 39.426 38.487 0.214 0.000 1.339 48 N HN 0.591 nan 8.380 nan 0.000 0.493 49 Q N -0.310 119.649 119.800 0.266 0.000 2.256 49 Q HA 0.357 4.697 4.340 -0.000 0.000 0.232 49 Q C -0.456 175.719 176.000 0.291 0.000 0.965 49 Q CA -0.035 55.939 55.803 0.285 0.000 0.908 49 Q CB 1.267 30.164 28.738 0.266 0.000 1.209 49 Q HN 0.080 nan 8.270 nan 0.000 0.489 50 T N 1.728 116.440 114.554 0.263 0.000 2.991 50 T HA 0.226 4.576 4.350 -0.000 0.000 0.347 50 T C -0.910 173.886 174.700 0.160 0.000 1.122 50 T CA -0.575 61.646 62.100 0.200 0.000 1.062 50 T CB 0.464 69.531 68.868 0.331 0.000 1.043 50 T HN 0.389 nan 8.240 nan 0.000 0.491 51 E N 2.094 122.316 120.200 0.035 0.000 2.229 51 E HA 0.298 4.648 4.350 -0.000 0.000 0.283 51 E C -0.928 175.613 176.600 -0.098 0.000 1.030 51 E CA -0.304 56.132 56.400 0.059 0.000 0.836 51 E CB 0.806 30.545 29.700 0.065 0.000 1.068 51 E HN 0.469 nan 8.360 nan 0.000 0.401 52 F N 2.732 122.748 119.950 0.109 0.000 2.359 52 F HA 0.186 4.713 4.527 -0.000 0.000 0.370 52 F C 0.349 176.188 175.800 0.065 0.000 1.077 52 F CA -0.576 57.449 58.000 0.042 0.000 1.136 52 F CB 1.036 40.069 39.000 0.056 0.000 1.387 52 F HN 0.252 nan 8.300 nan 0.000 0.468 53 Q N 2.380 122.256 119.800 0.126 0.000 2.267 53 Q HA 0.281 4.621 4.340 -0.000 0.000 0.255 53 Q C -1.293 174.762 176.000 0.092 0.000 0.923 53 Q CA -0.426 55.470 55.803 0.155 0.000 0.925 53 Q CB 1.318 30.108 28.738 0.087 0.000 1.195 53 Q HN 0.461 nan 8.270 nan 0.000 0.417 54 Y N 2.340 122.693 120.300 0.089 0.000 2.328 54 Y HA 0.340 4.890 4.550 -0.000 0.000 0.337 54 Y C -0.332 175.596 175.900 0.046 0.000 1.008 54 Y CA -0.456 57.685 58.100 0.068 0.000 1.129 54 Y CB 0.712 39.203 38.460 0.052 0.000 1.185 54 Y HN 0.470 nan 8.280 nan 0.000 0.476 55 L N 1.192 122.506 121.223 0.152 0.000 2.293 55 L HA 0.774 5.114 4.340 -0.000 0.000 0.264 55 L C 1.005 177.928 176.870 0.088 0.000 1.029 55 L CA -0.860 54.040 54.840 0.100 0.000 0.897 55 L CB 0.489 42.583 42.059 0.057 0.000 1.497 55 L HN 0.711 nan 8.230 nan 0.000 0.495 56 G N -1.232 107.603 108.800 0.058 0.000 2.732 56 G HA2 0.233 4.193 3.960 -0.000 0.000 0.244 56 G HA3 0.233 4.193 3.960 -0.000 0.000 0.244 56 G C 0.153 175.079 174.900 0.043 0.000 1.226 56 G CA 0.073 45.200 45.100 0.046 0.000 0.860 56 G HN 0.762 nan 8.290 nan 0.000 0.583 57 E N -1.388 118.833 120.200 0.035 0.000 3.208 57 E HA -0.290 4.060 4.350 -0.000 0.000 0.277 57 E C 1.243 177.866 176.600 0.038 0.000 0.989 57 E CA 1.082 57.500 56.400 0.030 0.000 0.850 57 E CB -1.368 28.346 29.700 0.022 0.000 1.429 57 E HN 1.948 nan 8.360 nan 0.000 0.463 58 G N -0.022 108.811 108.800 0.056 0.000 2.255 58 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.239 58 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.239 58 G C 0.007 174.938 174.900 0.052 0.000 1.083 58 G CA 0.322 45.464 45.100 0.070 0.000 0.826 58 G HN 0.202 nan 8.290 nan 0.000 0.493 59 L N -1.015 120.234 121.223 0.043 0.000 2.298 59 L HA 0.921 5.261 4.340 -0.000 0.000 0.268 59 L C 0.651 177.505 176.870 -0.026 0.000 1.010 59 L CA -1.479 53.368 54.840 0.011 0.000 0.812 59 L CB 1.961 44.028 42.059 0.014 0.000 1.331 59 L HN 0.403 nan 8.230 nan 0.000 0.450 60 V N -1.145 118.731 119.914 -0.063 0.000 2.888 60 V HA 0.523 4.643 4.120 -0.000 0.000 0.309 60 V C -0.671 175.387 176.094 -0.061 0.000 1.114 60 V CA -0.912 61.306 62.300 -0.138 0.000 0.940 60 V CB 1.852 33.511 31.823 -0.275 0.000 1.021 60 V HN 0.790 nan 8.190 nan 0.000 0.426 61 R N 3.656 124.124 120.500 -0.053 0.000 2.755 61 R HA 0.575 4.915 4.340 -0.000 0.000 0.268 61 R C -0.672 175.585 176.300 -0.071 0.000 1.295 61 R CA -0.538 55.544 56.100 -0.030 0.000 1.379 61 R CB 0.265 30.557 30.300 -0.013 0.000 1.170 61 R HN 0.857 nan 8.270 nan 0.000 0.584 62 I N 3.396 123.920 120.570 -0.077 0.000 2.483 62 I HA 0.038 4.208 4.170 -0.000 0.000 0.291 62 I C -0.014 176.046 176.117 -0.094 0.000 1.112 62 I CA 0.447 61.605 61.300 -0.238 0.000 1.350 62 I CB 1.159 39.049 38.000 -0.183 0.000 1.419 62 I HN 0.375 nan 8.210 nan 0.000 0.523 63 T N 6.414 120.850 114.554 -0.197 0.000 2.770 63 T HA 0.525 4.875 4.350 -0.000 0.000 0.297 63 T C 0.077 174.636 174.700 -0.236 0.000 0.997 63 T CA -0.487 61.500 62.100 -0.188 0.000 0.949 63 T CB 1.132 69.868 68.868 -0.221 0.000 0.941 63 T HN 0.651 nan 8.240 nan 0.000 0.457 64 A N 4.185 126.925 122.820 -0.135 0.000 2.258 64 A HA 0.573 4.893 4.320 -0.000 0.000 0.316 64 A C -0.329 177.310 177.584 0.093 0.000 1.279 64 A CA -0.702 51.323 52.037 -0.020 0.000 0.876 64 A CB 0.290 19.284 19.000 -0.009 0.000 1.170 64 A HN 0.820 nan 8.150 nan 0.000 0.520 65 H N 1.370 120.560 119.070 0.199 0.000 2.489 65 H HA 0.634 5.190 4.556 -0.000 0.000 0.322 65 H C -0.110 175.276 175.328 0.096 0.000 1.091 65 H CA 0.119 56.251 56.048 0.140 0.000 1.291 65 H CB 1.869 31.654 29.762 0.037 0.000 1.436 65 H HN 0.785 nan 8.280 nan 0.000 0.480 66 A N 2.918 125.807 122.820 0.115 0.000 2.375 66 A HA 0.534 4.854 4.320 -0.000 0.000 0.295 66 A C -0.550 176.945 177.584 -0.148 0.000 1.066 66 A CA -0.595 51.405 52.037 -0.062 0.000 0.722 66 A CB 1.133 19.938 19.000 -0.326 0.000 1.206 66 A HN 0.579 nan 8.150 nan 0.000 0.435 67 S N 0.670 116.247 115.700 -0.205 0.000 2.607 67 S HA 0.921 5.391 4.470 -0.000 0.000 0.303 67 S C -0.243 174.462 174.600 0.175 0.000 1.086 67 S CA -0.648 57.402 58.200 -0.250 0.000 0.995 67 S CB 1.773 64.204 63.200 -1.282 0.000 1.084 67 S HN 0.762 nan 8.310 nan 0.000 0.507 68 R N 0.784 121.572 120.500 0.481 0.000 2.633 68 R HA 0.314 4.654 4.340 -0.000 0.000 0.255 68 R C -2.181 174.245 176.300 0.210 0.000 1.106 68 R CA -0.641 55.698 56.100 0.397 0.000 0.959 68 R CB 0.756 31.192 30.300 0.226 0.000 1.259 68 R HN 0.504 nan 8.270 nan 0.000 0.453 69 L N 5.751 126.896 121.223 -0.130 0.000 2.325 69 L HA 0.470 4.810 4.340 -0.000 0.000 0.284 69 L C -0.872 175.674 176.870 -0.541 0.000 1.089 69 L CA 0.369 54.752 54.840 -0.762 0.000 0.836 69 L CB 0.361 41.732 42.059 -1.147 0.000 1.184 69 L HN 0.541 nan 8.230 nan 0.000 0.444 70 I N 5.146 125.322 120.570 -0.657 0.000 2.499 70 I HA 0.280 4.450 4.170 -0.000 0.000 0.296 70 I C -0.298 175.423 176.117 -0.660 0.000 0.992 70 I CA -0.627 60.258 61.300 -0.693 0.000 1.297 70 I CB 1.098 38.470 38.000 -1.047 0.000 1.410 70 I HN 0.605 nan 8.210 nan 0.000 0.507 71 H N 6.547 125.335 119.070 -0.470 0.000 2.609 71 H HA 0.493 5.049 4.556 -0.000 0.000 0.344 71 H C -2.004 173.243 175.328 -0.135 0.000 1.040 71 H CA -0.779 55.107 56.048 -0.269 0.000 1.216 71 H CB 2.005 31.646 29.762 -0.202 0.000 1.529 71 H HN 0.391 nan 8.280 nan 0.000 0.519 72 L N 5.102 126.117 121.223 -0.347 0.000 2.362 72 L HA 0.413 4.753 4.340 -0.000 0.000 0.275 72 L C -0.922 175.873 176.870 -0.124 0.000 0.998 72 L CA -0.363 54.436 54.840 -0.068 0.000 0.820 72 L CB 1.511 43.669 42.059 0.165 0.000 1.270 72 L HN 0.671 nan 8.230 nan 0.000 0.415 73 N N 3.766 122.475 118.700 0.015 0.000 2.492 73 N HA 0.459 5.199 4.740 -0.000 0.000 0.289 73 N C -0.529 174.995 175.510 0.024 0.000 1.133 73 N CA -0.702 52.377 53.050 0.048 0.000 0.961 73 N CB 1.400 39.935 38.487 0.079 0.000 1.186 73 N HN 0.702 nan 8.380 nan 0.000 0.493 74 M N 2.832 122.448 119.600 0.027 0.000 2.268 74 M HA 0.198 4.678 4.480 -0.000 0.000 0.349 74 M C -2.220 174.055 176.300 -0.042 0.000 1.485 74 M CA -0.935 54.354 55.300 -0.017 0.000 1.094 74 M CB 0.336 32.932 32.600 -0.006 0.000 1.843 74 M HN 0.275 nan 8.290 nan 0.000 0.460 75 P HA -0.134 nan 4.420 nan 0.000 0.259 75 P C -0.276 176.982 177.300 -0.069 0.000 1.163 75 P CA 0.579 63.631 63.100 -0.080 0.000 0.760 75 P CB 0.310 31.921 31.700 -0.148 0.000 0.762 76 E N 2.341 122.511 120.200 -0.050 0.000 2.371 76 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 76 E C 0.033 176.535 176.600 -0.162 0.000 1.012 76 E CA 0.730 57.075 56.400 -0.092 0.000 0.860 76 E CB 0.016 29.671 29.700 -0.075 0.000 0.811 76 E HN 0.455 nan 8.360 nan 0.000 0.502 77 H N 1.011 120.045 119.070 -0.061 0.000 3.036 77 H HA 0.149 4.705 4.556 -0.000 0.000 0.295 77 H C -0.185 175.090 175.328 -0.089 0.000 1.124 77 H CA -0.530 55.482 56.048 -0.060 0.000 1.507 77 H CB 1.353 31.086 29.762 -0.049 0.000 1.591 77 H HN 0.118 nan 8.280 nan 0.000 0.510 78 E N 2.099 122.315 120.200 0.025 0.000 2.526 78 E HA -0.020 4.330 4.350 -0.000 0.000 0.206 78 E C 0.180 176.754 176.600 -0.043 0.000 1.139 78 E CA 0.486 56.860 56.400 -0.044 0.000 0.913 78 E CB 0.251 29.925 29.700 -0.043 0.000 0.868 78 E HN 0.527 nan 8.360 nan 0.000 0.564 79 T N -1.072 113.477 114.554 -0.009 0.000 2.841 79 T HA 0.408 4.758 4.350 -0.000 0.000 0.276 79 T C -0.362 174.298 174.700 -0.066 0.000 1.003 79 T CA -0.571 61.530 62.100 0.002 0.000 0.995 79 T CB 0.682 69.583 68.868 0.056 0.000 1.260 79 T HN -0.093 nan 8.240 nan 0.000 0.581 80 Y N 1.021 121.378 120.300 0.096 0.000 2.369 80 Y HA 0.416 4.966 4.550 -0.000 0.000 0.337 80 Y C 0.572 176.473 175.900 0.002 0.000 0.961 80 Y CA -0.636 57.535 58.100 0.118 0.000 1.186 80 Y CB 0.922 39.565 38.460 0.305 0.000 1.139 80 Y HN 0.199 nan 8.280 nan 0.000 0.494 81 K N 3.478 123.915 120.400 0.061 0.000 2.159 81 K HA 0.448 4.768 4.320 -0.000 0.000 0.266 81 K C -0.403 176.121 176.600 -0.127 0.000 0.975 81 K CA -1.024 55.221 56.287 -0.071 0.000 0.865 81 K CB 1.949 34.367 32.500 -0.137 0.000 1.087 81 K HN 0.518 nan 8.250 nan 0.000 0.446 82 R N 4.724 125.109 120.500 -0.192 0.000 2.346 82 R HA 0.296 4.636 4.340 -0.000 0.000 0.309 82 R C -0.858 175.267 176.300 -0.292 0.000 1.119 82 R CA -0.261 55.681 56.100 -0.263 0.000 1.112 82 R CB 0.056 30.167 30.300 -0.315 0.000 1.132 82 R HN 0.591 nan 8.270 nan 0.000 0.538 83 I N 3.214 123.627 120.570 -0.262 0.000 2.498 83 I HA 0.318 4.488 4.170 -0.000 0.000 0.301 83 I C 0.417 176.367 176.117 -0.278 0.000 0.984 83 I CA -0.996 60.161 61.300 -0.239 0.000 1.204 83 I CB 1.481 39.390 38.000 -0.152 0.000 1.362 83 I HN 0.477 nan 8.210 nan 0.000 0.471 84 H N 3.782 122.768 119.070 -0.139 0.000 2.570 84 H HA 0.645 5.201 4.556 -0.000 0.000 0.342 84 H C -0.907 174.293 175.328 -0.212 0.000 1.245 84 H CA -0.657 55.288 56.048 -0.172 0.000 1.318 84 H CB 2.353 32.049 29.762 -0.111 0.000 1.694 84 H HN 0.167 nan 8.280 nan 0.000 0.592 85 V N 2.684 122.535 119.914 -0.104 0.000 2.610 85 V HA 0.217 4.337 4.120 -0.000 0.000 0.298 85 V C -0.683 175.382 176.094 -0.048 0.000 1.067 85 V CA -0.438 61.787 62.300 -0.124 0.000 0.894 85 V CB 1.961 33.633 31.823 -0.251 0.000 1.015 85 V HN 0.402 nan 8.190 nan 0.000 0.432 86 L N 5.992 127.206 121.223 -0.014 0.000 2.376 86 L HA 0.625 4.965 4.340 -0.000 0.000 0.275 86 L C -0.723 176.155 176.870 0.013 0.000 0.987 86 L CA -0.539 54.301 54.840 -0.001 0.000 0.828 86 L CB 2.229 44.275 42.059 -0.022 0.000 1.249 86 L HN 0.757 nan 8.230 nan 0.000 0.409 87 N N 1.365 120.082 118.700 0.029 0.000 2.443 87 N HA 0.232 4.972 4.740 -0.000 0.000 0.295 87 N C 0.314 175.836 175.510 0.019 0.000 1.076 87 N CA -0.741 52.326 53.050 0.028 0.000 0.919 87 N CB 1.779 40.292 38.487 0.043 0.000 1.176 87 N HN 0.360 nan 8.380 nan 0.000 0.487 88 S N 1.566 117.273 115.700 0.012 0.000 2.370 88 S HA -0.203 4.267 4.470 -0.000 0.000 0.226 88 S C 1.164 175.769 174.600 0.007 0.000 1.033 88 S CA 1.500 59.703 58.200 0.006 0.000 1.011 88 S CB -0.259 62.942 63.200 0.003 0.000 0.852 88 S HN 0.718 nan 8.310 nan 0.000 0.457 89 E N 1.470 121.678 120.200 0.013 0.000 2.118 89 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 89 E C 2.175 178.786 176.600 0.017 0.000 0.992 89 E CA 1.023 57.431 56.400 0.013 0.000 0.804 89 E CB -0.469 29.243 29.700 0.019 0.000 0.741 89 E HN 0.368 nan 8.360 nan 0.000 0.458 90 S N -0.095 115.621 115.700 0.028 0.000 2.374 90 S HA -0.105 4.365 4.470 -0.000 0.000 0.227 90 S C 1.563 176.176 174.600 0.023 0.000 1.037 90 S CA 1.286 59.508 58.200 0.037 0.000 1.024 90 S CB -0.437 62.792 63.200 0.049 0.000 0.861 90 S HN 0.381 nan 8.310 nan 0.000 0.456 91 G N 1.333 110.139 108.800 0.011 0.000 3.939 91 G HA2 0.506 4.466 3.960 -0.000 0.000 0.268 91 G HA3 0.506 4.466 3.960 -0.000 0.000 0.268 91 G C -0.792 174.099 174.900 -0.015 0.000 1.172 91 G CA -0.228 44.871 45.100 -0.002 0.000 1.614 91 G HN 0.316 nan 8.290 nan 0.000 0.639 92 V N -0.029 119.873 119.914 -0.020 0.000 3.114 92 V HA 0.715 4.835 4.120 -0.000 0.000 0.308 92 V C 0.404 176.470 176.094 -0.048 0.000 1.168 92 V CA -1.243 61.037 62.300 -0.033 0.000 1.015 92 V CB 1.914 33.722 31.823 -0.025 0.000 1.050 92 V HN 0.560 nan 8.190 nan 0.000 0.433 93 A N 1.746 124.525 122.820 -0.070 0.000 2.545 93 A HA 0.503 4.823 4.320 -0.000 0.000 0.253 93 A C 1.542 179.080 177.584 -0.076 0.000 1.074 93 A CA 1.098 53.074 52.037 -0.101 0.000 0.760 93 A CB -0.879 18.033 19.000 -0.145 0.000 1.005 93 A HN 2.348 nan 8.150 nan 0.000 0.506 94 G N 1.853 110.613 108.800 -0.068 0.000 2.640 94 G HA2 -0.363 3.596 3.960 -0.000 0.000 0.226 94 G HA3 -0.363 3.596 3.960 -0.000 0.000 0.226 94 G C 0.845 175.716 174.900 -0.047 0.000 1.222 94 G CA 0.569 45.642 45.100 -0.046 0.000 0.729 94 G HN 0.861 nan 8.290 nan 0.000 0.516 95 Q N 0.895 120.675 119.800 -0.034 0.000 2.541 95 Q HA 0.207 4.547 4.340 -0.000 0.000 0.216 95 Q C 2.310 178.305 176.000 -0.008 0.000 0.968 95 Q CA 0.811 56.603 55.803 -0.018 0.000 0.989 95 Q CB -0.395 28.338 28.738 -0.008 0.000 0.991 95 Q HN 0.809 nan 8.270 nan 0.000 0.549 96 M N -0.681 118.904 119.600 -0.025 0.000 2.108 96 M HA -0.177 4.303 4.480 -0.000 0.000 0.261 96 M C 1.999 178.322 176.300 0.039 0.000 1.066 96 M CA 1.270 56.570 55.300 0.000 0.000 1.107 96 M CB -0.466 32.114 32.600 -0.033 0.000 1.356 96 M HN 0.061 nan 8.290 nan 0.000 0.406 97 V N 0.546 120.449 119.914 -0.019 0.000 2.546 97 V HA -0.269 3.851 4.120 -0.000 0.000 0.254 97 V C 1.974 178.155 176.094 0.146 0.000 1.076 97 V CA 1.686 64.040 62.300 0.090 0.000 1.087 97 V CB -1.080 30.732 31.823 -0.018 0.000 0.674 97 V HN 0.570 nan 8.190 nan 0.000 0.470 98 Q N -0.010 119.837 119.800 0.080 0.000 2.415 98 Q HA 0.007 4.347 4.340 -0.000 0.000 0.206 98 Q C 0.532 176.583 176.000 0.085 0.000 0.946 98 Q CA -0.090 55.758 55.803 0.075 0.000 0.951 98 Q CB -0.157 28.607 28.738 0.044 0.000 1.026 98 Q HN 0.711 nan 8.270 nan 0.000 0.510 99 D N 0.760 121.224 120.400 0.108 0.000 2.450 99 D HA -0.077 4.563 4.640 -0.000 0.000 0.247 99 D C -0.063 176.308 176.300 0.118 0.000 1.162 99 D CA 0.497 54.564 54.000 0.111 0.000 0.879 99 D CB 0.689 41.570 40.800 0.134 0.000 1.163 99 D HN -0.060 nan 8.370 nan 0.000 0.472 100 D N 2.482 122.955 120.400 0.122 0.000 2.479 100 D HA 0.186 4.826 4.640 -0.000 0.000 0.218 100 D C 0.151 176.611 176.300 0.267 0.000 1.177 100 D CA -0.324 53.771 54.000 0.159 0.000 0.830 100 D CB 0.514 41.398 40.800 0.140 0.000 1.014 100 D HN 0.484 nan 8.370 nan 0.000 0.503 101 A N 1.838 124.780 122.820 0.203 0.000 2.445 101 A HA 0.430 4.750 4.320 -0.000 0.000 0.242 101 A C 0.432 178.210 177.584 0.322 0.000 1.075 101 A CA 0.404 52.560 52.037 0.198 0.000 0.777 101 A CB 0.203 19.258 19.000 0.092 0.000 1.013 101 A HN 0.461 nan 8.150 nan 0.000 0.493 102 H N -1.410 117.719 119.070 0.098 0.000 2.826 102 H HA 0.333 4.889 4.556 -0.000 0.000 0.258 102 H C -1.588 173.853 175.328 0.189 0.000 1.454 102 H CA -0.182 55.943 56.048 0.128 0.000 1.121 102 H CB -0.094 29.773 29.762 0.176 0.000 1.776 102 H HN 0.533 nan 8.280 nan 0.000 0.525 103 T N 1.710 116.371 114.554 0.178 0.000 2.861 103 T HA 0.407 4.757 4.350 -0.000 0.000 0.287 103 T C -0.392 174.383 174.700 0.125 0.000 1.003 103 T CA -0.702 61.428 62.100 0.050 0.000 0.977 103 T CB 2.143 71.051 68.868 0.066 0.000 0.996 103 T HN 0.371 nan 8.240 nan 0.000 0.448 104 Q N 1.854 121.620 119.800 -0.057 0.000 2.309 104 Q HA 0.515 4.855 4.340 -0.000 0.000 0.264 104 Q C -0.984 174.877 176.000 -0.231 0.000 1.008 104 Q CA -1.025 54.726 55.803 -0.086 0.000 0.853 104 Q CB 1.872 30.571 28.738 -0.065 0.000 1.314 104 Q HN 0.301 nan 8.270 nan 0.000 0.448 105 M N 2.900 122.259 119.600 -0.402 0.000 2.103 105 M HA 0.267 4.747 4.480 -0.000 0.000 0.350 105 M C -1.188 174.861 176.300 -0.419 0.000 1.100 105 M CA -0.805 54.161 55.300 -0.557 0.000 1.042 105 M CB 1.013 32.787 32.600 -1.376 0.000 1.368 105 M HN 0.293 nan 8.290 nan 0.000 0.404 106 V N 4.311 124.110 119.914 -0.192 0.000 2.389 106 V HA 0.285 4.405 4.120 -0.000 0.000 0.264 106 V C 0.860 176.954 176.094 -0.001 0.000 1.049 106 V CA -0.366 61.872 62.300 -0.103 0.000 0.932 106 V CB 0.700 32.474 31.823 -0.083 0.000 1.011 106 V HN 0.870 nan 8.190 nan 0.000 0.475 107 T N 3.940 118.518 114.554 0.041 0.000 2.902 107 T HA 0.432 4.782 4.350 -0.000 0.000 0.280 107 T C -1.522 173.175 174.700 -0.005 0.000 0.992 107 T CA -1.961 60.183 62.100 0.074 0.000 1.015 107 T CB 1.904 70.986 68.868 0.357 0.000 1.044 107 T HN 0.487 nan 8.240 nan 0.000 0.520 108 P HA 0.190 nan 4.420 nan 0.000 0.253 108 P C -0.768 176.431 177.300 -0.169 0.000 1.260 108 P CA -0.222 62.769 63.100 -0.181 0.000 0.800 108 P CB -0.057 31.444 31.700 -0.331 0.000 1.162 109 W N 0.660 121.968 121.300 0.014 0.000 2.449 109 W HA 0.384 5.044 4.660 -0.000 0.000 0.331 109 W C 0.361 177.007 176.519 0.211 0.000 1.119 109 W CA -0.059 57.356 57.345 0.116 0.000 1.240 109 W CB 1.009 30.551 29.460 0.136 0.000 1.251 109 W HN -0.264 nan 8.180 nan 0.000 0.576 110 S N 2.747 118.703 115.700 0.426 0.000 2.509 110 S HA 0.599 5.069 4.470 -0.000 0.000 0.297 110 S C -0.983 173.836 174.600 0.364 0.000 1.118 110 S CA -0.822 57.572 58.200 0.323 0.000 1.074 110 S CB 1.108 64.420 63.200 0.187 0.000 1.038 110 S HN 0.456 nan 8.310 nan 0.000 0.498 111 L N 3.478 124.848 121.223 0.245 0.000 2.325 111 L HA 0.619 4.959 4.340 -0.000 0.000 0.278 111 L C -1.358 175.488 176.870 -0.040 0.000 1.023 111 L CA -0.827 54.043 54.840 0.049 0.000 0.811 111 L CB 0.745 42.800 42.059 -0.007 0.000 1.249 111 L HN 0.657 nan 8.230 nan 0.000 0.431 112 I N 4.004 124.501 120.570 -0.121 0.000 2.412 112 I HA 0.220 4.390 4.170 -0.000 0.000 0.279 112 I C -1.009 175.017 176.117 -0.153 0.000 1.063 112 I CA -0.281 60.937 61.300 -0.137 0.000 1.193 112 I CB 1.102 39.038 38.000 -0.108 0.000 1.370 112 I HN 0.554 nan 8.210 nan 0.000 0.479 113 D N 4.615 124.925 120.400 -0.150 0.000 2.256 113 D HA 0.535 5.175 4.640 -0.000 0.000 0.240 113 D C 0.354 176.586 176.300 -0.114 0.000 1.062 113 D CA -0.258 53.677 54.000 -0.107 0.000 0.832 113 D CB 1.827 42.548 40.800 -0.133 0.000 1.135 113 D HN 0.556 nan 8.370 nan 0.000 0.484 114 A N 3.756 126.563 122.820 -0.022 0.000 2.535 114 A HA 0.145 4.465 4.320 -0.000 0.000 0.273 114 A C 0.641 178.254 177.584 0.048 0.000 1.267 114 A CA -0.494 51.532 52.037 -0.018 0.000 0.940 114 A CB -0.418 18.627 19.000 0.076 0.000 1.101 114 A HN 0.498 nan 8.150 nan 0.000 0.521 115 N N 1.852 120.444 118.700 -0.181 0.000 2.605 115 N HA 0.473 5.213 4.740 -0.000 0.000 0.258 115 N C -0.561 174.718 175.510 -0.385 0.000 1.156 115 N CA 0.894 53.577 53.050 -0.611 0.000 1.008 115 N CB -0.098 37.819 38.487 -0.950 0.000 1.354 115 N HN 0.482 nan 8.380 nan 0.000 0.509 116 A N 2.549 125.226 122.820 -0.238 0.000 2.562 116 A HA 0.173 4.493 4.320 -0.000 0.000 0.305 116 A C 0.100 177.635 177.584 -0.082 0.000 1.059 116 A CA -0.929 51.017 52.037 -0.151 0.000 0.835 116 A CB -0.509 18.518 19.000 0.044 0.000 1.299 116 A HN 0.507 nan 8.150 nan 0.000 0.392 117 W N 2.123 123.435 121.300 0.019 0.000 2.290 117 W HA -0.195 4.465 4.660 -0.000 0.000 0.323 117 W C 2.231 178.660 176.519 -0.151 0.000 1.260 117 W CA 2.543 59.976 57.345 0.147 0.000 1.266 117 W CB -0.352 29.155 29.460 0.079 0.000 1.149 117 W HN 1.001 nan 8.180 nan 0.000 0.482 118 G N 0.241 108.593 108.800 -0.746 0.000 2.532 118 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.222 118 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.222 118 G C 1.384 175.764 174.900 -0.866 0.000 1.102 118 G CA 1.600 45.708 45.100 -1.654 0.000 0.742 118 G HN 0.241 nan 8.290 nan 0.000 0.577 119 V N -0.577 119.050 119.914 -0.478 0.000 2.270 119 V HA -0.133 3.987 4.120 -0.000 0.000 0.245 119 V C 2.433 178.237 176.094 -0.483 0.000 1.043 119 V CA 2.008 64.055 62.300 -0.423 0.000 1.014 119 V CB -0.597 30.833 31.823 -0.655 0.000 0.645 119 V HN 0.624 nan 8.190 nan 0.000 0.447 120 W N -1.074 120.189 121.300 -0.062 0.000 2.441 120 W HA 0.178 4.838 4.660 -0.000 0.000 0.302 120 W C 1.040 177.407 176.519 -0.253 0.000 1.191 120 W CA -0.039 57.170 57.345 -0.226 0.000 1.327 120 W CB -0.513 28.651 29.460 -0.494 0.000 1.128 120 W HN 0.070 nan 8.180 nan 0.000 0.522 121 F N 1.111 121.389 119.950 0.546 0.000 2.509 121 F HA 0.334 4.861 4.527 -0.000 0.000 0.334 121 F C 0.346 176.440 175.800 0.490 0.000 1.060 121 F CA -1.410 56.892 58.000 0.503 0.000 0.997 121 F CB 0.427 39.763 39.000 0.559 0.000 1.271 121 F HN -0.242 nan 8.300 nan 0.000 0.488 122 N N -0.846 118.238 118.700 0.640 0.000 2.453 122 N HA 0.523 5.263 4.740 -0.000 0.000 0.290 122 N C -2.698 173.061 175.510 0.415 0.000 1.250 122 N CA -2.117 51.259 53.050 0.544 0.000 0.815 122 N CB 1.074 39.829 38.487 0.447 0.000 1.381 122 N HN 0.048 nan 8.380 nan 0.000 0.510 123 P HA -0.315 nan 4.420 nan 0.000 0.219 123 P C 1.052 178.360 177.300 0.014 0.000 1.161 123 P CA 2.995 66.217 63.100 0.204 0.000 0.909 123 P CB -0.138 31.804 31.700 0.402 0.000 0.793 124 A N -0.529 122.342 122.820 0.085 0.000 1.883 124 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 124 A C 2.057 179.651 177.584 0.018 0.000 1.186 124 A CA 2.315 54.371 52.037 0.033 0.000 0.624 124 A CB -1.520 17.530 19.000 0.084 0.000 0.822 124 A HN 0.142 nan 8.150 nan 0.000 0.444 125 D N -1.136 119.342 120.400 0.130 0.000 2.103 125 D HA -0.215 4.425 4.640 -0.000 0.000 0.190 125 D C 1.756 177.990 176.300 -0.109 0.000 0.997 125 D CA 1.266 55.372 54.000 0.176 0.000 0.833 125 D CB -0.569 40.523 40.800 0.488 0.000 0.961 125 D HN 0.732 nan 8.370 nan 0.000 0.447 126 W N 1.959 122.975 121.300 -0.474 0.000 2.315 126 W HA -0.266 4.394 4.660 -0.000 0.000 0.323 126 W C 2.426 178.660 176.519 -0.475 0.000 1.233 126 W CA 1.811 58.728 57.345 -0.715 0.000 1.267 126 W CB -0.451 28.238 29.460 -1.285 0.000 1.160 126 W HN 0.112 nan 8.180 nan 0.000 0.474 127 Q N 0.311 119.985 119.800 -0.209 0.000 2.118 127 Q HA -0.312 4.028 4.340 -0.000 0.000 0.211 127 Q C 2.337 178.198 176.000 -0.232 0.000 0.998 127 Q CA 2.506 58.225 55.803 -0.140 0.000 0.872 127 Q CB -0.701 28.044 28.738 0.012 0.000 0.925 127 Q HN 0.325 nan 8.270 nan 0.000 0.414 128 L N 0.640 121.704 121.223 -0.266 0.000 1.976 128 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 128 L C 2.239 178.877 176.870 -0.386 0.000 1.071 128 L CA 1.779 56.425 54.840 -0.323 0.000 0.746 128 L CB -0.610 41.182 42.059 -0.444 0.000 0.890 128 L HN 0.371 nan 8.230 nan 0.000 0.432 129 I N -0.485 119.796 120.570 -0.481 0.000 2.091 129 I HA -0.362 3.808 4.170 -0.000 0.000 0.239 129 I C 2.509 178.291 176.117 -0.558 0.000 1.061 129 I CA 1.831 62.818 61.300 -0.522 0.000 1.317 129 I CB -0.880 36.672 38.000 -0.747 0.000 1.031 129 I HN 0.453 nan 8.210 nan 0.000 0.401 130 S N 0.466 115.702 115.700 -0.774 0.000 2.423 130 S HA -0.125 4.345 4.470 -0.000 0.000 0.231 130 S C 1.646 176.069 174.600 -0.295 0.000 1.014 130 S CA 1.245 59.098 58.200 -0.579 0.000 0.965 130 S CB -0.566 62.221 63.200 -0.689 0.000 0.785 130 S HN 0.386 nan 8.310 nan 0.000 0.495 131 N N 1.629 120.176 118.700 -0.254 0.000 2.467 131 N HA 0.198 4.938 4.740 -0.000 0.000 0.184 131 N C 0.966 176.401 175.510 -0.126 0.000 1.106 131 N CA 0.377 53.341 53.050 -0.143 0.000 0.892 131 N CB -0.054 38.363 38.487 -0.116 0.000 0.969 131 N HN 0.449 nan 8.380 nan 0.000 0.454 132 N N -1.342 117.265 118.700 -0.155 0.000 2.011 132 N HA 0.109 4.849 4.740 -0.000 0.000 0.228 132 N C -0.942 174.510 175.510 -0.096 0.000 1.378 132 N CA 0.092 53.077 53.050 -0.109 0.000 0.852 132 N CB 0.876 39.304 38.487 -0.099 0.000 1.111 132 N HN 0.035 nan 8.380 nan 0.000 0.497 133 M N 0.885 120.404 119.600 -0.134 0.000 2.300 133 M HA 0.265 4.745 4.480 -0.000 0.000 0.348 133 M C 1.587 177.842 176.300 -0.075 0.000 1.151 133 M CA -0.066 55.173 55.300 -0.103 0.000 1.046 133 M CB 0.762 33.278 32.600 -0.139 0.000 1.647 133 M HN -0.078 nan 8.290 nan 0.000 0.451 134 T N -0.954 113.579 114.554 -0.035 0.000 3.009 134 T HA 0.086 4.436 4.350 -0.000 0.000 0.258 134 T C 0.389 175.089 174.700 -0.000 0.000 1.063 134 T CA 0.549 62.642 62.100 -0.010 0.000 1.139 134 T CB 0.210 69.082 68.868 0.006 0.000 0.890 134 T HN 0.796 nan 8.240 nan 0.000 0.471 135 E N -0.358 119.845 120.200 0.003 0.000 2.433 135 E HA 0.718 5.068 4.350 -0.000 0.000 0.278 135 E C -1.571 175.059 176.600 0.049 0.000 0.976 135 E CA -1.310 55.111 56.400 0.035 0.000 0.793 135 E CB 1.920 31.654 29.700 0.057 0.000 1.311 135 E HN 0.300 nan 8.360 nan 0.000 0.460 136 I N 1.028 121.673 120.570 0.124 0.000 2.841 136 I HA 0.543 4.713 4.170 -0.000 0.000 0.298 136 I C -2.222 174.110 176.117 0.358 0.000 1.304 136 I CA -0.661 60.750 61.300 0.184 0.000 1.019 136 I CB 2.379 40.455 38.000 0.128 0.000 1.282 136 I HN 0.779 nan 8.210 nan 0.000 0.432 137 N N 4.628 123.513 118.700 0.309 0.000 2.277 137 N HA 0.462 5.202 4.740 -0.000 0.000 0.286 137 N C -1.756 173.709 175.510 -0.075 0.000 1.140 137 N CA -0.526 52.637 53.050 0.189 0.000 0.799 137 N CB 1.813 40.368 38.487 0.114 0.000 1.596 137 N HN 0.476 nan 8.380 nan 0.000 0.473 138 L N 2.677 123.525 121.223 -0.626 0.000 2.453 138 L HA 0.231 4.571 4.340 -0.000 0.000 0.272 138 L C 0.421 176.999 176.870 -0.487 0.000 1.182 138 L CA 0.526 54.784 54.840 -0.970 0.000 0.858 138 L CB 0.836 41.882 42.059 -1.688 0.000 1.120 138 L HN 0.617 nan 8.230 nan 0.000 0.474 139 V N 1.189 120.889 119.914 -0.357 0.000 3.671 139 V HA 0.369 4.489 4.120 -0.000 0.000 0.202 139 V C 0.336 176.448 176.094 0.031 0.000 1.188 139 V CA 0.593 62.834 62.300 -0.098 0.000 1.325 139 V CB 0.509 32.269 31.823 -0.105 0.000 1.470 139 V HN 0.799 nan 8.190 nan 0.000 0.520 140 S N 0.103 115.777 115.700 -0.044 0.000 2.599 140 S HA 0.828 5.298 4.470 -0.000 0.000 0.294 140 S C -1.345 173.234 174.600 -0.036 0.000 1.094 140 S CA -0.474 57.658 58.200 -0.112 0.000 0.931 140 S CB 2.729 65.864 63.200 -0.109 0.000 1.093 140 S HN 0.479 nan 8.310 nan 0.000 0.488 141 F N 0.931 120.699 119.950 -0.304 0.000 2.615 141 F HA 0.648 5.175 4.527 -0.000 0.000 0.312 141 F C -1.707 173.996 175.800 -0.162 0.000 1.119 141 F CA -0.602 57.275 58.000 -0.205 0.000 0.979 141 F CB 1.663 40.564 39.000 -0.166 0.000 1.266 141 F HN 0.994 nan 8.300 nan 0.000 0.444 142 E N 5.228 124.905 120.200 -0.871 0.000 2.321 142 E HA 0.433 4.783 4.350 -0.000 0.000 0.281 142 E C -1.999 174.183 176.600 -0.698 0.000 0.910 142 E CA -0.911 55.009 56.400 -0.799 0.000 0.770 142 E CB 2.318 31.767 29.700 -0.418 0.000 1.225 142 E HN 0.749 nan 8.360 nan 0.000 0.417 143 Q N 1.493 120.943 119.800 -0.585 0.000 2.207 143 Q HA 0.530 4.870 4.340 -0.000 0.000 0.237 143 Q C -0.808 175.036 176.000 -0.260 0.000 0.998 143 Q CA -1.029 54.597 55.803 -0.295 0.000 0.951 143 Q CB 1.790 30.613 28.738 0.141 0.000 1.213 143 Q HN 0.677 nan 8.270 nan 0.000 0.499 144 E N 0.628 120.704 120.200 -0.207 0.000 2.647 144 E HA 0.242 4.592 4.350 -0.000 0.000 0.320 144 E C -1.861 174.868 176.600 0.216 0.000 0.951 144 E CA -0.144 56.219 56.400 -0.062 0.000 0.809 144 E CB 0.983 30.563 29.700 -0.200 0.000 1.295 144 E HN 0.533 nan 8.360 nan 0.000 0.407 145 I N 5.613 126.445 120.570 0.437 0.000 2.392 145 I HA 0.576 4.746 4.170 -0.000 0.000 0.295 145 I C -0.510 175.979 176.117 0.621 0.000 0.985 145 I CA -0.734 60.922 61.300 0.593 0.000 1.221 145 I CB 0.708 38.979 38.000 0.452 0.000 1.366 145 I HN 0.453 nan 8.210 nan 0.000 0.467 146 F N 2.870 123.030 119.950 0.350 0.000 2.779 146 F HA 0.425 4.952 4.527 -0.000 0.000 0.316 146 F C -0.164 175.854 175.800 0.365 0.000 1.164 146 F CA -1.721 56.441 58.000 0.270 0.000 0.924 146 F CB 0.718 39.813 39.000 0.159 0.000 1.348 146 F HN 0.543 nan 8.300 nan 0.000 0.467 147 N N 0.454 119.329 118.700 0.292 0.000 2.688 147 N HA -0.133 4.607 4.740 -0.000 0.000 0.258 147 N C -0.849 174.819 175.510 0.264 0.000 1.016 147 N CA 0.445 53.625 53.050 0.216 0.000 0.747 147 N CB -0.475 38.074 38.487 0.103 0.000 0.895 147 N HN 0.450 nan 8.380 nan 0.000 0.543 148 V N 1.001 121.045 119.914 0.217 0.000 2.740 148 V HA 0.241 4.361 4.120 -0.000 0.000 0.303 148 V C 0.868 177.049 176.094 0.144 0.000 1.054 148 V CA 0.169 62.585 62.300 0.192 0.000 1.106 148 V CB 1.764 33.645 31.823 0.096 0.000 0.957 148 V HN 0.078 nan 8.190 nan 0.000 0.486 149 V N 5.773 125.762 119.914 0.125 0.000 2.610 149 V HA 0.400 4.520 4.120 -0.000 0.000 0.298 149 V C -0.512 175.570 176.094 -0.019 0.000 1.067 149 V CA -0.394 61.938 62.300 0.054 0.000 0.894 149 V CB 1.696 33.559 31.823 0.067 0.000 1.015 149 V HN 0.637 nan 8.190 nan 0.000 0.432 150 L N 4.417 125.601 121.223 -0.065 0.000 2.325 150 L HA 0.682 5.022 4.340 -0.000 0.000 0.278 150 L C -0.152 176.578 176.870 -0.233 0.000 1.023 150 L CA -0.606 54.150 54.840 -0.141 0.000 0.811 150 L CB 1.914 43.919 42.059 -0.089 0.000 1.249 150 L HN 0.525 nan 8.230 nan 0.000 0.431 151 K N 1.396 121.524 120.400 -0.453 0.000 2.443 151 K HA 0.444 4.764 4.320 -0.000 0.000 0.252 151 K C -0.852 175.551 176.600 -0.329 0.000 0.933 151 K CA -0.615 55.376 56.287 -0.493 0.000 0.792 151 K CB 2.639 34.648 32.500 -0.819 0.000 1.185 151 K HN 0.457 nan 8.250 nan 0.000 0.425 152 T N 2.246 116.727 114.554 -0.120 0.000 2.899 152 T HA 0.468 4.818 4.350 -0.000 0.000 0.284 152 T C -0.563 174.154 174.700 0.028 0.000 1.004 152 T CA -0.410 61.673 62.100 -0.029 0.000 1.043 152 T CB 0.443 69.296 68.868 -0.025 0.000 1.013 152 T HN 0.462 nan 8.240 nan 0.000 0.518 153 I N 2.256 122.839 120.570 0.022 0.000 2.497 153 I HA 0.344 4.513 4.170 -0.000 0.000 0.284 153 I C -0.730 175.336 176.117 -0.085 0.000 1.060 153 I CA -0.344 60.927 61.300 -0.048 0.000 1.071 153 I CB 1.439 39.444 38.000 0.008 0.000 1.216 153 I HN 0.513 nan 8.210 nan 0.000 0.442 154 T N 5.405 119.889 114.554 -0.117 0.000 2.795 154 T HA 0.267 4.617 4.350 -0.000 0.000 0.282 154 T C -0.349 174.288 174.700 -0.105 0.000 0.980 154 T CA -0.266 61.782 62.100 -0.086 0.000 1.012 154 T CB 1.356 70.189 68.868 -0.057 0.000 0.936 154 T HN 0.560 nan 8.240 nan 0.000 0.457 155 E N 1.591 121.746 120.200 -0.075 0.000 2.313 155 E HA 0.351 4.701 4.350 -0.000 0.000 0.276 155 E C -0.352 176.218 176.600 -0.051 0.000 1.031 155 E CA -0.116 56.243 56.400 -0.067 0.000 0.857 155 E CB 0.701 30.371 29.700 -0.050 0.000 1.040 155 E HN 0.498 nan 8.360 nan 0.000 0.408 156 S N 3.381 119.052 115.700 -0.047 0.000 2.204 156 S HA 0.416 4.886 4.470 -0.000 0.000 0.147 156 S C -0.101 174.484 174.600 -0.024 0.000 1.711 156 S CA -0.040 58.141 58.200 -0.031 0.000 1.274 156 S CB -0.010 63.172 63.200 -0.028 0.000 1.257 156 S HN 0.614 nan 8.310 nan 0.000 0.404 157 A N 2.189 124.996 122.820 -0.023 0.000 2.176 157 A HA 0.162 4.482 4.320 -0.000 0.000 0.214 157 A C 1.190 178.766 177.584 -0.013 0.000 1.327 157 A CA 0.355 52.382 52.037 -0.018 0.000 1.015 157 A CB -1.024 17.965 19.000 -0.018 0.000 0.818 157 A HN 0.661 nan 8.150 nan 0.000 0.500 158 T N 0.940 115.487 114.554 -0.011 0.000 2.933 158 T HA 0.348 4.698 4.350 -0.000 0.000 0.263 158 T C 1.166 175.862 174.700 -0.005 0.000 0.925 158 T CA 0.850 62.945 62.100 -0.007 0.000 1.156 158 T CB -1.147 67.718 68.868 -0.006 0.000 0.916 158 T HN 1.233 nan 8.240 nan 0.000 0.601 159 S N 3.174 118.870 115.700 -0.005 0.000 4.159 159 S HA -0.166 4.304 4.470 -0.000 0.000 0.541 159 S C -1.937 172.661 174.600 -0.004 0.000 1.865 159 S CA 0.558 58.756 58.200 -0.004 0.000 4.249 159 S CB -2.657 60.541 63.200 -0.002 0.000 0.215 159 S HN 0.758 nan 8.310 nan 0.000 0.455 160 P HA 0.452 nan 4.420 nan 0.000 0.294 160 P C -2.966 174.331 177.300 -0.005 0.000 1.294 160 P CA -1.676 61.422 63.100 -0.003 0.000 0.827 160 P CB 0.555 32.255 31.700 0.001 0.000 0.992 161 P HA -0.014 nan 4.420 nan 0.000 0.250 161 P C -0.306 176.986 177.300 -0.012 0.000 1.198 161 P CA 0.548 63.640 63.100 -0.013 0.000 1.118 161 P CB -0.553 31.139 31.700 -0.015 0.000 1.208 162 T N 4.150 118.695 114.554 -0.015 0.000 2.856 162 T HA 0.242 4.592 4.350 -0.000 0.000 0.292 162 T C 0.405 175.079 174.700 -0.044 0.000 0.980 162 T CA -0.403 61.690 62.100 -0.012 0.000 1.091 162 T CB 1.147 70.013 68.868 -0.003 0.000 0.936 162 T HN 0.204 nan 8.240 nan 0.000 0.503 163 K N 2.802 123.167 120.400 -0.057 0.000 2.206 163 K HA 0.557 4.877 4.320 -0.000 0.000 0.264 163 K C -0.587 175.867 176.600 -0.243 0.000 0.967 163 K CA -0.562 55.605 56.287 -0.200 0.000 0.844 163 K CB 1.503 33.838 32.500 -0.275 0.000 1.099 163 K HN 0.511 nan 8.250 nan 0.000 0.441 164 I N 3.201 123.589 120.570 -0.302 0.000 2.404 164 I HA 0.283 4.453 4.170 -0.000 0.000 0.293 164 I C -0.974 174.981 176.117 -0.272 0.000 0.992 164 I CA -1.068 60.134 61.300 -0.163 0.000 1.149 164 I CB 0.874 38.836 38.000 -0.064 0.000 1.315 164 I HN 0.430 nan 8.210 nan 0.000 0.446 165 Y N 4.396 124.726 120.300 0.051 0.000 2.331 165 Y HA 0.436 4.986 4.550 -0.000 0.000 0.338 165 Y C -0.022 175.896 175.900 0.030 0.000 0.976 165 Y CA -0.627 57.511 58.100 0.063 0.000 1.137 165 Y CB 1.035 39.555 38.460 0.099 0.000 1.172 165 Y HN 0.528 nan 8.280 nan 0.000 0.478 166 N N 1.266 120.040 118.700 0.124 0.000 2.531 166 N HA 0.465 5.205 4.740 -0.000 0.000 0.290 166 N C -1.487 174.036 175.510 0.022 0.000 1.257 166 N CA -1.150 51.937 53.050 0.061 0.000 0.863 166 N CB 0.902 39.404 38.487 0.025 0.000 1.320 166 N HN 0.483 nan 8.380 nan 0.000 0.538 167 N N -0.317 118.386 118.700 0.004 0.000 2.407 167 N HA 0.173 4.913 4.740 -0.000 0.000 0.277 167 N C -1.717 173.778 175.510 -0.025 0.000 0.995 167 N CA -0.451 52.585 53.050 -0.024 0.000 0.903 167 N CB 1.325 39.808 38.487 -0.007 0.000 1.218 167 N HN 0.389 nan 8.380 nan 0.000 0.487 168 D N 3.316 123.689 120.400 -0.045 0.000 2.494 168 D HA 0.136 4.776 4.640 -0.000 0.000 0.217 168 D C 1.082 177.366 176.300 -0.026 0.000 1.153 168 D CA -0.124 53.856 54.000 -0.032 0.000 0.954 168 D CB 0.538 41.314 40.800 -0.040 0.000 1.034 168 D HN 0.490 nan 8.370 nan 0.000 0.518 169 L N 1.769 122.985 121.223 -0.012 0.000 2.021 169 L HA -0.270 4.070 4.340 -0.000 0.000 0.215 169 L C 2.766 179.635 176.870 -0.002 0.000 1.074 169 L CA 1.818 56.657 54.840 -0.003 0.000 0.760 169 L CB -0.849 41.212 42.059 0.005 0.000 0.889 169 L HN 0.398 nan 8.230 nan 0.000 0.433 170 T N -2.233 112.319 114.554 -0.004 0.000 2.904 170 T HA 0.145 4.495 4.350 -0.000 0.000 0.267 170 T C 1.125 175.821 174.700 -0.008 0.000 1.059 170 T CA 0.325 62.424 62.100 -0.002 0.000 1.137 170 T CB -0.443 68.425 68.868 -0.001 0.000 0.879 170 T HN 0.294 nan 8.240 nan 0.000 0.467 171 A N 1.539 124.348 122.820 -0.017 0.000 2.521 171 A HA 0.478 4.798 4.320 -0.000 0.000 0.237 171 A C 0.504 178.074 177.584 -0.024 0.000 1.087 171 A CA -0.162 51.861 52.037 -0.025 0.000 0.777 171 A CB -0.074 18.904 19.000 -0.037 0.000 1.035 171 A HN 0.574 nan 8.150 nan 0.000 0.510 172 S N -0.885 114.797 115.700 -0.031 0.000 2.634 172 S HA 0.617 5.087 4.470 -0.000 0.000 0.296 172 S C -0.973 173.594 174.600 -0.055 0.000 1.104 172 S CA -0.617 57.565 58.200 -0.031 0.000 0.920 172 S CB 1.514 64.703 63.200 -0.017 0.000 1.111 172 S HN 1.011 nan 8.310 nan 0.000 0.493 173 L N 1.914 123.096 121.223 -0.069 0.000 2.305 173 L HA 0.592 4.931 4.340 -0.000 0.000 0.284 173 L C -0.839 175.969 176.870 -0.104 0.000 1.013 173 L CA -0.449 54.320 54.840 -0.118 0.000 0.819 173 L CB 0.726 42.670 42.059 -0.192 0.000 1.227 173 L HN 0.707 nan 8.230 nan 0.000 0.417 174 M N 5.392 124.936 119.600 -0.094 0.000 2.146 174 M HA 0.457 4.937 4.480 -0.000 0.000 0.357 174 M C -0.938 175.418 176.300 0.094 0.000 1.261 174 M CA -0.410 54.901 55.300 0.017 0.000 1.106 174 M CB 1.307 33.909 32.600 0.003 0.000 1.612 174 M HN 0.397 nan 8.290 nan 0.000 0.470 175 V N 2.579 122.530 119.914 0.063 0.000 2.638 175 V HA 0.841 4.961 4.120 -0.000 0.000 0.306 175 V C -0.531 175.526 176.094 -0.060 0.000 1.052 175 V CA -0.825 61.425 62.300 -0.085 0.000 0.885 175 V CB 1.734 33.241 31.823 -0.528 0.000 0.999 175 V HN 0.939 nan 8.190 nan 0.000 0.424 176 A N 4.955 127.768 122.820 -0.011 0.000 2.393 176 A HA 0.869 5.189 4.320 -0.000 0.000 0.306 176 A C -1.412 176.208 177.584 0.060 0.000 1.050 176 A CA -0.525 51.502 52.037 -0.016 0.000 0.724 176 A CB 1.828 20.703 19.000 -0.209 0.000 1.248 176 A HN 0.744 nan 8.150 nan 0.000 0.424 177 L N 2.785 124.067 121.223 0.098 0.000 2.345 177 L HA 0.383 4.723 4.340 -0.000 0.000 0.274 177 L C -1.016 175.917 176.870 0.105 0.000 0.999 177 L CA -0.257 54.662 54.840 0.132 0.000 0.849 177 L CB 1.258 43.462 42.059 0.243 0.000 1.220 177 L HN 0.890 nan 8.230 nan 0.000 0.422 178 D N 2.795 123.263 120.400 0.114 0.000 2.551 178 D HA 0.084 4.724 4.640 -0.000 0.000 0.223 178 D C 1.206 177.515 176.300 0.015 0.000 1.144 178 D CA 0.035 54.080 54.000 0.075 0.000 1.025 178 D CB 0.739 41.636 40.800 0.161 0.000 1.085 178 D HN 0.577 nan 8.370 nan 0.000 0.506 179 T N 1.433 115.986 114.554 -0.003 0.000 2.746 179 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 179 T C 1.319 175.976 174.700 -0.073 0.000 1.039 179 T CA 1.057 63.127 62.100 -0.050 0.000 1.142 179 T CB -0.186 68.659 68.868 -0.039 0.000 0.866 179 T HN 0.489 nan 8.240 nan 0.000 0.444 180 N N 1.163 119.833 118.700 -0.049 0.000 2.398 180 N HA 0.056 4.796 4.740 -0.000 0.000 0.188 180 N C -0.614 174.859 175.510 -0.060 0.000 1.122 180 N CA -0.302 52.715 53.050 -0.055 0.000 0.866 180 N CB 0.036 38.499 38.487 -0.039 0.000 0.970 180 N HN 0.178 nan 8.380 nan 0.000 0.462 181 N N 0.830 119.499 118.700 -0.051 0.000 2.608 181 N HA -0.129 4.611 4.740 -0.000 0.000 0.273 181 N C 0.088 175.543 175.510 -0.091 0.000 1.133 181 N CA 0.640 53.666 53.050 -0.040 0.000 0.726 181 N CB -0.895 37.564 38.487 -0.048 0.000 0.890 181 N HN 0.283 nan 8.380 nan 0.000 0.548 182 T N -0.303 114.166 114.554 -0.142 0.000 3.021 182 T HA 0.157 4.507 4.350 -0.000 0.000 0.245 182 T C 1.262 175.617 174.700 -0.575 0.000 1.028 182 T CA 0.030 61.974 62.100 -0.259 0.000 1.139 182 T CB 0.436 69.194 68.868 -0.183 0.000 0.884 182 T HN 0.261 nan 8.240 nan 0.000 0.457 183 L N 2.742 123.712 121.223 -0.422 0.000 2.456 183 L HA 0.231 4.571 4.340 -0.000 0.000 0.272 183 L C -2.343 174.367 176.870 -0.268 0.000 1.189 183 L CA -1.918 52.639 54.840 -0.472 0.000 0.846 183 L CB -0.293 41.654 42.059 -0.187 0.000 1.111 183 L HN -0.038 nan 8.230 nan 0.000 0.475 184 P HA -0.074 nan 4.420 nan 0.000 0.265 184 P C -0.797 176.637 177.300 0.223 0.000 1.193 184 P CA 0.048 63.144 63.100 -0.006 0.000 0.765 184 P CB 0.183 31.892 31.700 0.016 0.000 0.823 185 Y N 3.219 123.572 120.300 0.088 0.000 2.511 185 Y HA 0.269 4.819 4.550 -0.000 0.000 0.332 185 Y C 0.680 176.682 175.900 0.170 0.000 1.177 185 Y CA 0.771 58.941 58.100 0.116 0.000 1.422 185 Y CB 0.298 38.817 38.460 0.099 0.000 1.271 185 Y HN 0.323 nan 8.280 nan 0.000 0.550 186 T N 5.950 120.382 114.554 -0.204 0.000 3.201 186 T HA 0.319 4.669 4.350 -0.000 0.000 0.338 186 T C -2.973 171.578 174.700 -0.250 0.000 1.095 186 T CA -1.662 60.388 62.100 -0.083 0.000 1.426 186 T CB 0.625 69.583 68.868 0.150 0.000 0.956 186 T HN 0.424 nan 8.240 nan 0.000 0.551 187 P HA 0.249 nan 4.420 nan 0.000 0.266 187 P C 0.865 178.087 177.300 -0.130 0.000 1.195 187 P CA -0.203 62.749 63.100 -0.246 0.000 0.768 187 P CB 1.005 32.640 31.700 -0.107 0.000 0.838 188 A N 3.743 126.487 122.820 -0.126 0.000 1.911 188 A HA 0.124 4.444 4.320 -0.000 0.000 0.212 188 A C 2.240 179.786 177.584 -0.063 0.000 1.189 188 A CA 1.297 53.285 52.037 -0.082 0.000 0.639 188 A CB -1.332 17.620 19.000 -0.081 0.000 0.839 188 A HN 0.562 nan 8.150 nan 0.000 0.449 189 A N 1.105 123.892 122.820 -0.055 0.000 1.923 189 A HA -0.210 4.110 4.320 -0.000 0.000 0.222 189 A C 0.268 177.862 177.584 0.016 0.000 1.258 189 A CA 2.319 54.354 52.037 -0.003 0.000 0.670 189 A CB -2.079 16.915 19.000 -0.009 0.000 0.834 189 A HN 0.512 nan 8.150 nan 0.000 0.470 190 P HA -0.070 nan 4.420 nan 0.000 0.242 190 P C 0.296 177.573 177.300 -0.038 0.000 1.198 190 P CA 0.962 64.057 63.100 -0.008 0.000 0.756 190 P CB -0.134 31.558 31.700 -0.014 0.000 0.911 191 R N -1.358 119.110 120.500 -0.053 0.000 2.582 191 R HA 0.163 4.503 4.340 -0.000 0.000 0.453 191 R C 0.365 176.582 176.300 -0.138 0.000 0.969 191 R CA -0.129 55.923 56.100 -0.080 0.000 1.113 191 R CB -0.163 30.096 30.300 -0.069 0.000 1.507 191 R HN -0.150 nan 8.270 nan 0.000 0.587 192 S N 1.492 117.091 115.700 -0.168 0.000 3.425 192 S HA -0.199 4.271 4.470 -0.000 0.000 0.377 192 S C 0.347 174.638 174.600 -0.515 0.000 0.989 192 S CA 1.061 59.017 58.200 -0.407 0.000 1.183 192 S CB -0.684 62.233 63.200 -0.472 0.000 0.908 192 S HN 0.511 nan 8.310 nan 0.000 0.472 193 E N 0.542 120.600 120.200 -0.237 0.000 2.609 193 E HA 0.113 4.463 4.350 -0.000 0.000 0.208 193 E C 0.706 177.273 176.600 -0.056 0.000 1.013 193 E CA -0.145 56.174 56.400 -0.135 0.000 1.093 193 E CB 0.620 30.269 29.700 -0.086 0.000 1.129 193 E HN 0.535 nan 8.360 nan 0.000 0.450 194 T N 0.704 115.263 114.554 0.008 0.000 2.833 194 T HA 0.198 4.548 4.350 -0.000 0.000 0.312 194 T C 0.392 175.100 174.700 0.015 0.000 1.085 194 T CA -0.526 61.600 62.100 0.043 0.000 0.955 194 T CB 0.702 69.669 68.868 0.164 0.000 1.353 194 T HN -0.069 nan 8.240 nan 0.000 0.544 195 L N 0.570 121.731 121.223 -0.104 0.000 2.456 195 L HA 0.483 4.823 4.340 -0.000 0.000 0.257 195 L C 1.271 177.946 176.870 -0.325 0.000 1.162 195 L CA -0.034 54.667 54.840 -0.233 0.000 0.808 195 L CB -0.190 41.649 42.059 -0.367 0.000 1.136 195 L HN 0.808 nan 8.230 nan 0.000 0.466 196 G N 0.440 109.008 108.800 -0.386 0.000 2.299 196 G HA2 0.115 4.075 3.960 -0.000 0.000 0.256 196 G HA3 0.115 4.075 3.960 -0.000 0.000 0.256 196 G C 0.295 174.969 174.900 -0.376 0.000 1.259 196 G CA -0.327 44.452 45.100 -0.535 0.000 0.943 196 G HN 0.428 nan 8.290 nan 0.000 0.479 197 F N 1.662 121.172 119.950 -0.733 0.000 2.788 197 F HA 0.124 4.651 4.527 -0.000 0.000 0.300 197 F C 0.180 175.475 175.800 -0.841 0.000 1.229 197 F CA -0.615 56.943 58.000 -0.736 0.000 1.446 197 F CB -1.162 37.327 39.000 -0.852 0.000 1.118 197 F HN 0.304 nan 8.300 nan 0.000 0.579 198 Y N -0.263 119.893 120.300 -0.240 0.000 2.350 198 Y HA 0.364 4.914 4.550 -0.000 0.000 0.338 198 Y C -1.643 174.040 175.900 -0.362 0.000 0.961 198 Y CA -3.313 54.479 58.100 -0.514 0.000 1.100 198 Y CB 1.095 39.050 38.460 -0.841 0.000 1.179 198 Y HN -0.214 nan 8.280 nan 0.000 0.454 199 P HA -0.106 nan 4.420 nan 0.000 0.219 199 P C 0.635 178.181 177.300 0.409 0.000 1.150 199 P CA 1.406 64.710 63.100 0.339 0.000 0.814 199 P CB 0.041 32.086 31.700 0.575 0.000 0.787 200 W N -1.250 120.192 121.300 0.237 0.000 3.388 200 W HA 0.426 5.086 4.660 -0.000 0.000 0.324 200 W C -0.520 176.046 176.519 0.078 0.000 1.250 200 W CA -0.290 57.135 57.345 0.134 0.000 1.809 200 W CB -0.733 28.777 29.460 0.084 0.000 1.083 200 W HN -0.260 nan 8.180 nan 0.000 0.685 201 L N 2.045 123.204 121.223 -0.107 0.000 2.385 201 L HA 0.509 4.849 4.340 -0.000 0.000 0.273 201 L C -2.130 174.677 176.870 -0.104 0.000 0.990 201 L CA -2.298 52.466 54.840 -0.126 0.000 0.821 201 L CB 2.002 43.916 42.059 -0.240 0.000 1.279 201 L HN -0.383 nan 8.230 nan 0.000 0.412 202 P HA 0.176 nan 4.420 nan 0.000 0.271 202 P C -0.593 176.603 177.300 -0.173 0.000 1.244 202 P CA -0.032 62.966 63.100 -0.171 0.000 0.793 202 P CB 0.768 32.359 31.700 -0.181 0.000 0.984 203 T N -0.588 113.848 114.554 -0.197 0.000 2.821 203 T HA 0.415 4.765 4.350 -0.000 0.000 0.306 203 T C -1.750 172.846 174.700 -0.173 0.000 1.313 203 T CA -0.880 61.107 62.100 -0.189 0.000 1.012 203 T CB 0.861 69.599 68.868 -0.216 0.000 1.298 203 T HN 0.175 nan 8.240 nan 0.000 0.502 204 K N 2.610 122.929 120.400 -0.134 0.000 2.316 204 K HA 0.579 4.899 4.320 -0.000 0.000 0.251 204 K C -2.527 174.026 176.600 -0.079 0.000 0.934 204 K CA -2.009 54.229 56.287 -0.083 0.000 0.802 204 K CB 2.063 34.540 32.500 -0.039 0.000 1.171 204 K HN 0.464 nan 8.250 nan 0.000 0.426 205 P HA 0.078 nan 4.420 nan 0.000 0.281 205 P C -0.472 176.838 177.300 0.017 0.000 1.249 205 P CA -0.302 62.784 63.100 -0.024 0.000 0.810 205 P CB 1.078 32.799 31.700 0.036 0.000 1.008 206 T N -1.586 112.984 114.554 0.027 0.000 2.936 206 T HA 0.241 4.591 4.350 -0.000 0.000 0.282 206 T C 0.127 174.898 174.700 0.119 0.000 1.003 206 T CA -0.784 61.347 62.100 0.051 0.000 1.005 206 T CB 0.790 69.674 68.868 0.027 0.000 1.097 206 T HN 0.479 nan 8.240 nan 0.000 0.532 207 Q N 0.951 120.817 119.800 0.111 0.000 2.274 207 Q HA 0.089 4.429 4.340 -0.000 0.000 0.280 207 Q C -1.340 174.808 176.000 0.247 0.000 1.047 207 Q CA -0.496 55.399 55.803 0.154 0.000 0.907 207 Q CB 0.140 28.929 28.738 0.085 0.000 1.171 207 Q HN 0.711 nan 8.270 nan 0.000 0.381 208 Y N 6.444 126.858 120.300 0.190 0.000 2.365 208 Y HA 0.297 4.847 4.550 -0.000 0.000 0.340 208 Y C -0.853 175.170 175.900 0.206 0.000 1.016 208 Y CA -0.671 57.575 58.100 0.243 0.000 1.196 208 Y CB 0.444 39.142 38.460 0.397 0.000 1.167 208 Y HN 0.608 nan 8.280 nan 0.000 0.509 209 R N 6.304 126.691 120.500 -0.189 0.000 2.522 209 R HA 0.290 4.630 4.340 -0.000 0.000 0.283 209 R C -2.147 173.974 176.300 -0.297 0.000 1.074 209 R CA -0.675 55.234 56.100 -0.318 0.000 0.925 209 R CB 0.016 30.213 30.300 -0.171 0.000 1.205 209 R HN 0.671 nan 8.270 nan 0.000 0.436 210 Y N 0.204 120.274 120.300 -0.383 0.000 2.568 210 Y HA 0.655 5.205 4.550 -0.000 0.000 0.327 210 Y C -0.620 175.222 175.900 -0.096 0.000 1.163 210 Y CA -1.749 56.222 58.100 -0.213 0.000 1.219 210 Y CB 0.402 38.812 38.460 -0.083 0.000 1.308 210 Y HN 0.388 nan 8.280 nan 0.000 0.503 211 Y N 1.277 121.721 120.300 0.239 0.000 2.336 211 Y HA 0.466 5.016 4.550 -0.000 0.000 0.331 211 Y C -0.072 175.949 175.900 0.201 0.000 1.211 211 Y CA -0.773 57.424 58.100 0.162 0.000 1.346 211 Y CB 0.909 39.449 38.460 0.133 0.000 1.271 211 Y HN 0.645 nan 8.280 nan 0.000 0.538 212 L N 1.368 122.777 121.223 0.310 0.000 2.401 212 L HA 0.422 4.762 4.340 -0.000 0.000 0.266 212 L C -0.069 176.896 176.870 0.159 0.000 0.991 212 L CA -0.850 54.114 54.840 0.206 0.000 0.818 212 L CB 1.929 44.037 42.059 0.080 0.000 1.321 212 L HN 0.611 nan 8.230 nan 0.000 0.413 213 S N 1.892 117.664 115.700 0.121 0.000 2.715 213 S HA 0.012 4.482 4.470 -0.000 0.000 0.318 213 S C -0.231 174.421 174.600 0.087 0.000 1.242 213 S CA -0.151 58.098 58.200 0.083 0.000 1.044 213 S CB -0.566 62.669 63.200 0.059 0.000 0.760 213 S HN 0.612 nan 8.310 nan 0.000 0.501 214 C N 5.161 124.503 119.300 0.070 0.000 2.630 214 C HA 0.660 5.120 4.460 -0.000 0.000 0.346 214 C C 0.292 175.307 174.990 0.042 0.000 1.245 214 C CA -0.919 58.145 59.018 0.076 0.000 1.804 214 C CB 0.797 28.579 27.740 0.070 0.000 2.279 214 C HN 0.839 nan 8.230 nan 0.000 0.498 215 I N 1.995 122.586 120.570 0.036 0.000 2.871 215 I HA 0.198 4.368 4.170 -0.000 0.000 0.284 215 I C -0.269 175.864 176.117 0.027 0.000 1.390 215 I CA -0.083 61.235 61.300 0.030 0.000 0.958 215 I CB 0.042 38.063 38.000 0.035 0.000 1.618 215 I HN 0.568 nan 8.210 nan 0.000 0.595 216 R N 3.750 124.264 120.500 0.023 0.000 2.438 216 R HA 0.339 4.679 4.340 -0.000 0.000 0.287 216 R C -0.776 175.614 176.300 0.151 0.000 1.077 216 R CA 0.221 56.350 56.100 0.049 0.000 1.034 216 R CB 0.449 30.758 30.300 0.014 0.000 0.993 216 R HN 0.350 nan 8.270 nan 0.000 0.459 217 N N 4.585 123.376 118.700 0.153 0.000 2.296 217 N HA 0.348 5.088 4.740 -0.000 0.000 0.294 217 N C -0.638 174.963 175.510 0.152 0.000 1.033 217 N CA -0.425 52.735 53.050 0.182 0.000 0.839 217 N CB 1.743 40.280 38.487 0.083 0.000 1.395 217 N HN 0.533 nan 8.380 nan 0.000 0.479 218 L N 1.570 122.871 121.223 0.129 0.000 3.519 218 L HA 0.128 4.468 4.340 -0.000 0.000 0.323 218 L C 0.051 176.878 176.870 -0.072 0.000 1.289 218 L CA -0.297 54.572 54.840 0.048 0.000 1.039 218 L CB 0.337 42.479 42.059 0.138 0.000 1.438 218 L HN 0.496 nan 8.230 nan 0.000 0.619 219 N N 2.550 121.185 118.700 -0.107 0.000 2.454 219 N HA 0.167 4.907 4.740 -0.000 0.000 0.260 219 N C -2.790 172.673 175.510 -0.078 0.000 1.218 219 N CA -0.546 52.427 53.050 -0.128 0.000 0.904 219 N CB 0.765 39.187 38.487 -0.109 0.000 1.065 219 N HN 0.056 nan 8.380 nan 0.000 0.462 220 P HA 0.464 nan 4.420 nan 0.000 0.294 220 P C -2.887 174.359 177.300 -0.090 0.000 1.323 220 P CA -1.869 61.171 63.100 -0.101 0.000 1.015 220 P CB 1.954 33.609 31.700 -0.075 0.000 1.392 221 P HA 0.056 nan 4.420 nan 0.000 0.269 221 P C -0.023 177.247 177.300 -0.050 0.000 1.217 221 P CA 0.669 63.725 63.100 -0.074 0.000 0.783 221 P CB 0.342 31.996 31.700 -0.077 0.000 0.898 222 T N -1.101 113.426 114.554 -0.046 0.000 2.645 222 T HA 0.675 5.025 4.350 -0.000 0.000 0.273 222 T C -1.333 173.380 174.700 0.022 0.000 0.960 222 T CA -0.668 61.399 62.100 -0.056 0.000 1.051 222 T CB 1.220 70.013 68.868 -0.126 0.000 1.366 222 T HN 0.522 nan 8.240 nan 0.000 0.536 223 Y N -1.519 118.744 120.300 -0.061 0.000 2.330 223 Y HA 0.578 5.128 4.550 -0.000 0.000 0.324 223 Y C 1.077 176.946 175.900 -0.051 0.000 1.093 223 Y CA -0.809 57.253 58.100 -0.064 0.000 1.103 223 Y CB 0.662 39.085 38.460 -0.061 0.000 1.183 223 Y HN 0.771 nan 8.280 nan 0.000 0.433 224 T N 2.727 117.301 114.554 0.033 0.000 2.708 224 T HA -0.417 3.933 4.350 -0.000 0.000 0.227 224 T C 1.656 176.310 174.700 -0.077 0.000 1.277 224 T CA 3.297 65.391 62.100 -0.010 0.000 1.075 224 T CB -0.935 67.958 68.868 0.042 0.000 0.791 224 T HN 1.104 nan 8.240 nan 0.000 0.495 225 G N 1.793 110.561 108.800 -0.053 0.000 2.496 225 G HA2 0.001 3.961 3.960 -0.000 0.000 0.214 225 G HA3 0.001 3.961 3.960 -0.000 0.000 0.214 225 G C 0.446 175.176 174.900 -0.283 0.000 1.234 225 G CA 0.698 45.736 45.100 -0.103 0.000 0.807 225 G HN 0.893 nan 8.290 nan 0.000 0.543 226 Q N 0.774 120.191 119.800 -0.639 0.000 2.475 226 Q HA 0.066 4.406 4.340 -0.000 0.000 0.375 226 Q C -0.416 175.402 176.000 -0.303 0.000 1.282 226 Q CA 0.770 56.252 55.803 -0.535 0.000 1.078 226 Q CB -0.150 28.055 28.738 -0.887 0.000 1.227 226 Q HN 0.372 nan 8.270 nan 0.000 0.444 227 S N 1.964 117.553 115.700 -0.184 0.000 2.437 227 S HA 0.577 5.047 4.470 -0.000 0.000 0.305 227 S C -0.612 173.920 174.600 -0.112 0.000 1.109 227 S CA -0.818 57.309 58.200 -0.122 0.000 1.099 227 S CB 1.967 65.121 63.200 -0.077 0.000 1.004 227 S HN 0.675 nan 8.310 nan 0.000 0.475 228 Q N 1.039 120.778 119.800 -0.101 0.000 2.633 228 Q HA 0.272 4.612 4.340 -0.000 0.000 0.289 228 Q C -1.949 174.011 176.000 -0.066 0.000 0.940 228 Q CA -0.362 55.392 55.803 -0.081 0.000 0.785 228 Q CB 2.266 30.946 28.738 -0.097 0.000 1.467 228 Q HN 0.929 nan 8.270 nan 0.000 0.401 229 Q N 2.346 122.115 119.800 -0.052 0.000 2.465 229 Q HA 0.370 4.710 4.340 -0.000 0.000 0.237 229 Q C -0.487 175.488 176.000 -0.042 0.000 1.051 229 Q CA -0.558 55.219 55.803 -0.043 0.000 0.874 229 Q CB 0.017 28.734 28.738 -0.034 0.000 1.207 229 Q HN 0.387 nan 8.270 nan 0.000 0.508 230 I N 1.048 121.591 120.570 -0.045 0.000 2.452 230 I HA 0.217 4.387 4.170 -0.000 0.000 0.287 230 I C 0.013 176.113 176.117 -0.029 0.000 1.079 230 I CA -0.105 61.171 61.300 -0.040 0.000 1.387 230 I CB 0.887 38.862 38.000 -0.041 0.000 1.404 230 I HN 0.237 nan 8.210 nan 0.000 0.522 231 T N 4.572 119.110 114.554 -0.026 0.000 2.780 231 T HA 0.307 4.657 4.350 -0.000 0.000 0.294 231 T C -0.312 174.385 174.700 -0.005 0.000 0.949 231 T CA -0.180 61.910 62.100 -0.017 0.000 1.074 231 T CB 0.528 69.387 68.868 -0.016 0.000 0.910 231 T HN 0.672 nan 8.240 nan 0.000 0.501 232 D N 2.309 122.707 120.400 -0.003 0.000 2.420 232 D HA 0.423 5.063 4.640 -0.000 0.000 0.255 232 D C -0.401 175.897 176.300 -0.004 0.000 1.185 232 D CA -0.417 53.587 54.000 0.007 0.000 0.904 232 D CB 0.634 41.437 40.800 0.005 0.000 1.102 232 D HN 0.539 nan 8.370 nan 0.000 0.534 233 S N 2.706 118.407 115.700 0.001 0.000 2.732 233 S HA 0.844 5.314 4.470 -0.000 0.000 0.293 233 S C -0.686 173.888 174.600 -0.042 0.000 1.159 233 S CA -0.802 57.381 58.200 -0.028 0.000 0.847 233 S CB 1.561 64.746 63.200 -0.025 0.000 1.169 233 S HN 0.420 nan 8.310 nan 0.000 0.501 234 I N 0.353 120.860 120.570 -0.105 0.000 2.739 234 I HA 0.305 4.475 4.170 -0.000 0.000 0.288 234 I C -2.364 173.596 176.117 -0.261 0.000 1.582 234 I CA -0.284 60.924 61.300 -0.154 0.000 1.035 234 I CB 1.926 39.806 38.000 -0.199 0.000 1.432 234 I HN 0.956 nan 8.210 nan 0.000 0.444 235 Q N 4.898 124.608 119.800 -0.149 0.000 2.275 235 Q HA 0.334 4.674 4.340 -0.000 0.000 0.258 235 Q C -0.640 175.402 176.000 0.070 0.000 0.960 235 Q CA -0.950 54.806 55.803 -0.080 0.000 0.801 235 Q CB 1.836 30.560 28.738 -0.023 0.000 1.302 235 Q HN 0.696 nan 8.270 nan 0.000 0.433 236 T N 0.353 115.054 114.554 0.245 0.000 2.517 236 T HA -0.017 4.332 4.350 -0.000 0.000 0.229 236 T C 1.111 175.874 174.700 0.104 0.000 1.039 236 T CA 0.204 62.424 62.100 0.200 0.000 1.186 236 T CB -0.342 68.597 68.868 0.117 0.000 1.016 236 T HN 0.803 nan 8.240 nan 0.000 0.475 237 G N 3.010 111.862 108.800 0.087 0.000 3.552 237 G HA2 0.007 3.967 3.960 -0.000 0.000 0.717 237 G HA3 0.007 3.967 3.960 -0.000 0.000 0.717 237 G C 0.218 175.149 174.900 0.052 0.000 1.292 237 G CA -0.764 44.371 45.100 0.058 0.000 1.240 237 G HN 0.980 nan 8.290 nan 0.000 0.768 238 L N 1.598 122.835 121.223 0.023 0.000 2.477 238 L HA 0.054 4.394 4.340 -0.000 0.000 0.272 238 L C 2.300 179.137 176.870 -0.056 0.000 1.157 238 L CA -0.351 54.486 54.840 -0.005 0.000 0.889 238 L CB 0.605 42.624 42.059 -0.066 0.000 1.158 238 L HN 0.922 nan 8.230 nan 0.000 0.473 239 H N 2.232 121.312 119.070 0.017 0.000 2.330 239 H HA -0.260 4.296 4.556 -0.000 0.000 0.290 239 H C 1.831 177.167 175.328 0.013 0.000 1.111 239 H CA 1.946 58.001 56.048 0.011 0.000 1.226 239 H CB -0.727 29.039 29.762 0.006 0.000 1.355 239 H HN 0.726 nan 8.280 nan 0.000 0.485 240 S N 0.649 115.910 115.700 -0.732 0.000 2.465 240 S HA -0.139 4.331 4.470 -0.000 0.000 0.241 240 S C 0.786 175.298 174.600 -0.147 0.000 1.000 240 S CA 1.437 59.413 58.200 -0.374 0.000 0.964 240 S CB -0.017 62.924 63.200 -0.431 0.000 0.763 240 S HN 0.433 nan 8.310 nan 0.000 0.512 241 D N 0.272 120.606 120.400 -0.111 0.000 2.402 241 D HA 0.354 4.994 4.640 -0.000 0.000 0.216 241 D C -0.497 175.809 176.300 0.011 0.000 1.128 241 D CA -0.287 53.693 54.000 -0.033 0.000 0.833 241 D CB -0.047 40.740 40.800 -0.021 0.000 0.971 241 D HN 0.328 nan 8.370 nan 0.000 0.503 242 I N 1.608 122.185 120.570 0.012 0.000 2.416 242 I HA 0.077 4.247 4.170 -0.000 0.000 0.288 242 I C -0.075 176.056 176.117 0.025 0.000 1.051 242 I CA 0.077 61.399 61.300 0.037 0.000 1.375 242 I CB 0.453 38.476 38.000 0.039 0.000 1.407 242 I HN -0.191 nan 8.210 nan 0.000 0.516 243 M N 8.368 128.003 119.600 0.058 0.000 2.018 243 M HA 0.240 4.720 4.480 -0.000 0.000 0.311 243 M C -1.022 175.315 176.300 0.063 0.000 0.928 243 M CA -0.400 54.878 55.300 -0.036 0.000 0.911 243 M CB 0.863 33.513 32.600 0.084 0.000 1.447 243 M HN 0.344 nan 8.290 nan 0.000 0.407 244 F N 4.974 124.765 119.950 -0.266 0.000 2.311 244 F HA 0.527 5.054 4.527 -0.000 0.000 0.371 244 F C -1.504 174.144 175.800 -0.254 0.000 1.083 244 F CA -1.130 56.797 58.000 -0.123 0.000 1.113 244 F CB 0.343 39.279 39.000 -0.107 0.000 1.349 244 F HN 0.375 nan 8.300 nan 0.000 0.470 245 Y N 2.364 122.563 120.300 -0.169 0.000 2.374 245 Y HA 0.592 5.142 4.550 -0.000 0.000 0.322 245 Y C 0.627 176.122 175.900 -0.675 0.000 1.275 245 Y CA -0.591 57.240 58.100 -0.448 0.000 1.307 245 Y CB 1.600 39.800 38.460 -0.433 0.000 1.282 245 Y HN 0.365 nan 8.280 nan 0.000 0.509 246 T N 3.041 117.369 114.554 -0.376 0.000 3.011 246 T HA 0.305 4.655 4.350 -0.000 0.000 0.303 246 T C 1.076 175.645 174.700 -0.219 0.000 0.997 246 T CA -0.556 61.276 62.100 -0.446 0.000 1.007 246 T CB 0.638 69.178 68.868 -0.546 0.000 1.017 246 T HN 0.528 nan 8.240 nan 0.000 0.443 247 I N 1.959 122.412 120.570 -0.195 0.000 2.113 247 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 247 I C 2.335 178.272 176.117 -0.300 0.000 1.064 247 I CA 1.888 62.888 61.300 -0.499 0.000 1.320 247 I CB -0.394 36.900 38.000 -1.178 0.000 1.028 247 I HN 0.691 nan 8.210 nan 0.000 0.406 248 E N 0.920 121.069 120.200 -0.085 0.000 2.097 248 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 248 E C 1.945 178.522 176.600 -0.039 0.000 1.000 248 E CA 1.189 57.598 56.400 0.015 0.000 0.804 248 E CB -0.256 29.535 29.700 0.153 0.000 0.740 248 E HN 0.400 nan 8.360 nan 0.000 0.454 249 N N -1.025 117.627 118.700 -0.080 0.000 2.416 249 N HA 0.036 4.776 4.740 -0.000 0.000 0.177 249 N C 0.963 176.427 175.510 -0.078 0.000 1.036 249 N CA 0.999 53.998 53.050 -0.085 0.000 0.901 249 N CB 0.400 38.807 38.487 -0.133 0.000 0.976 249 N HN 0.155 nan 8.380 nan 0.000 0.444 250 A N -0.372 122.389 122.820 -0.099 0.000 2.259 250 A HA 0.324 4.644 4.320 -0.000 0.000 0.213 250 A C 0.417 177.950 177.584 -0.085 0.000 1.209 250 A CA 0.083 52.072 52.037 -0.079 0.000 0.910 250 A CB 0.834 19.787 19.000 -0.079 0.000 0.946 250 A HN -0.033 nan 8.150 nan 0.000 0.497 251 V N 1.936 121.784 119.914 -0.110 0.000 2.841 251 V HA 0.387 4.507 4.120 -0.000 0.000 0.310 251 V C -2.704 173.355 176.094 -0.059 0.000 1.090 251 V CA -1.809 60.441 62.300 -0.082 0.000 0.930 251 V CB 2.456 34.214 31.823 -0.110 0.000 1.014 251 V HN 0.268 nan 8.190 nan 0.000 0.425 252 P HA 0.405 nan 4.420 nan 0.000 0.276 252 P C -1.041 176.275 177.300 0.026 0.000 1.230 252 P CA 0.007 63.102 63.100 -0.009 0.000 0.776 252 P CB 1.078 32.774 31.700 -0.006 0.000 0.888 253 I N 3.530 124.108 120.570 0.013 0.000 2.378 253 I HA 0.252 4.422 4.170 -0.000 0.000 0.291 253 I C 0.418 176.568 176.117 0.056 0.000 0.992 253 I CA -0.897 60.455 61.300 0.087 0.000 1.154 253 I CB 0.871 38.961 38.000 0.149 0.000 1.315 253 I HN 0.342 nan 8.210 nan 0.000 0.448 254 H N 5.784 124.845 119.070 -0.015 0.000 2.502 254 H HA 0.484 5.040 4.556 -0.000 0.000 0.327 254 H C -0.466 174.850 175.328 -0.020 0.000 1.099 254 H CA -0.265 55.775 56.048 -0.012 0.000 1.323 254 H CB 0.988 30.727 29.762 -0.038 0.000 1.450 254 H HN 0.360 nan 8.280 nan 0.000 0.502 255 L N 4.189 125.470 121.223 0.097 0.000 2.307 255 L HA 0.380 4.720 4.340 -0.000 0.000 0.282 255 L C -0.497 176.405 176.870 0.053 0.000 1.051 255 L CA -0.503 54.367 54.840 0.051 0.000 0.804 255 L CB 0.904 42.981 42.059 0.030 0.000 1.197 255 L HN 0.388 nan 8.230 nan 0.000 0.431 256 L N 3.986 125.218 121.223 0.015 0.000 2.376 256 L HA 0.529 4.869 4.340 -0.000 0.000 0.275 256 L C -0.226 176.650 176.870 0.009 0.000 0.987 256 L CA -0.567 54.284 54.840 0.019 0.000 0.828 256 L CB 2.029 44.079 42.059 -0.014 0.000 1.249 256 L HN 0.642 nan 8.230 nan 0.000 0.409 257 R N 0.274 120.791 120.500 0.028 0.000 2.607 257 R HA 0.269 4.609 4.340 -0.000 0.000 0.261 257 R C 1.138 177.462 176.300 0.039 0.000 1.051 257 R CA -0.495 55.619 56.100 0.023 0.000 1.110 257 R CB 1.458 31.773 30.300 0.024 0.000 1.158 257 R HN 0.574 nan 8.270 nan 0.000 0.543 258 T N 0.329 114.905 114.554 0.037 0.000 2.680 258 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 258 T C 1.617 176.362 174.700 0.075 0.000 1.033 258 T CA 2.189 64.323 62.100 0.057 0.000 1.152 258 T CB -0.415 68.482 68.868 0.048 0.000 0.859 258 T HN 0.803 nan 8.240 nan 0.000 0.452 259 G N 0.890 109.728 108.800 0.063 0.000 3.026 259 G HA2 0.107 4.067 3.960 -0.000 0.000 0.208 259 G HA3 0.107 4.067 3.960 -0.000 0.000 0.208 259 G C 0.196 175.144 174.900 0.079 0.000 1.169 259 G CA -0.174 44.967 45.100 0.069 0.000 0.788 259 G HN 0.461 nan 8.290 nan 0.000 0.533 260 D N -0.151 120.301 120.400 0.087 0.000 2.388 260 D HA 0.427 5.067 4.640 -0.000 0.000 0.254 260 D C -0.087 176.296 176.300 0.137 0.000 1.111 260 D CA -0.108 53.953 54.000 0.101 0.000 0.993 260 D CB 1.766 42.622 40.800 0.094 0.000 1.118 260 D HN 0.269 nan 8.370 nan 0.000 0.502 261 E N 0.089 120.381 120.200 0.153 0.000 2.446 261 E HA 0.525 4.875 4.350 -0.000 0.000 0.276 261 E C -1.893 174.852 176.600 0.242 0.000 0.969 261 E CA -0.683 55.833 56.400 0.193 0.000 0.800 261 E CB 2.276 32.059 29.700 0.138 0.000 1.341 261 E HN 0.309 nan 8.360 nan 0.000 0.460 262 F N 1.111 121.084 119.950 0.037 0.000 2.665 262 F HA 0.495 5.022 4.527 -0.000 0.000 0.308 262 F C -1.831 173.945 175.800 -0.039 0.000 1.112 262 F CA -0.193 57.785 58.000 -0.036 0.000 0.972 262 F CB 1.939 40.894 39.000 -0.075 0.000 1.295 262 F HN 0.493 nan 8.300 nan 0.000 0.440 263 S N 2.388 117.469 115.700 -1.031 0.000 2.566 263 S HA 0.553 5.023 4.470 -0.000 0.000 0.273 263 S C -0.955 173.132 174.600 -0.854 0.000 1.157 263 S CA -0.820 56.946 58.200 -0.723 0.000 0.938 263 S CB 1.304 64.268 63.200 -0.392 0.000 1.087 263 S HN 0.739 nan 8.310 nan 0.000 0.474 264 T N 2.701 116.928 114.554 -0.545 0.000 2.791 264 T HA 0.421 4.771 4.350 -0.000 0.000 0.323 264 T C 1.470 175.948 174.700 -0.371 0.000 1.082 264 T CA 0.223 62.086 62.100 -0.394 0.000 1.084 264 T CB 0.033 68.705 68.868 -0.327 0.000 0.992 264 T HN 0.938 nan 8.240 nan 0.000 0.547 265 G N 0.128 108.754 108.800 -0.291 0.000 3.048 265 G HA2 0.442 4.402 3.960 -0.000 0.000 0.151 265 G HA3 0.442 4.402 3.960 -0.000 0.000 0.151 265 G C -0.289 174.443 174.900 -0.280 0.000 1.803 265 G CA -0.407 44.544 45.100 -0.248 0.000 1.047 265 G HN 0.714 nan 8.290 nan 0.000 0.513 266 I N -0.470 119.931 120.570 -0.281 0.000 2.560 266 I HA 0.202 4.372 4.170 -0.000 0.000 0.278 266 I C -1.422 174.390 176.117 -0.509 0.000 1.089 266 I CA -0.681 60.393 61.300 -0.377 0.000 1.086 266 I CB 1.695 39.489 38.000 -0.343 0.000 1.202 266 I HN 0.360 nan 8.210 nan 0.000 0.471 267 Y N 6.154 126.103 120.300 -0.586 0.000 2.359 267 Y HA 0.337 4.887 4.550 -0.000 0.000 0.330 267 Y C -0.213 175.229 175.900 -0.763 0.000 1.143 267 Y CA 0.134 57.864 58.100 -0.617 0.000 1.318 267 Y CB 0.456 38.589 38.460 -0.545 0.000 1.234 267 Y HN 0.398 nan 8.280 nan 0.000 0.522 268 H N 7.186 125.687 119.070 -0.949 0.000 2.481 268 H HA 0.255 4.811 4.556 -0.000 0.000 0.333 268 H C -0.935 173.623 175.328 -1.284 0.000 1.066 268 H CA -0.650 54.876 56.048 -0.870 0.000 1.209 268 H CB 0.697 30.199 29.762 -0.432 0.000 1.445 268 H HN 0.610 nan 8.280 nan 0.000 0.488 269 F N 1.083 120.563 119.950 -0.784 0.000 2.382 269 F HA 0.105 4.632 4.527 -0.000 0.000 0.331 269 F C 1.099 176.690 175.800 -0.349 0.000 1.121 269 F CA -0.097 57.513 58.000 -0.651 0.000 1.183 269 F CB 0.838 39.513 39.000 -0.542 0.000 1.207 269 F HN 0.401 nan 8.300 nan 0.000 0.555 270 D N 1.509 121.899 120.400 -0.016 0.000 2.408 270 D HA 0.216 4.856 4.640 -0.000 0.000 0.261 270 D C -1.212 175.109 176.300 0.036 0.000 1.190 270 D CA -0.190 53.803 54.000 -0.011 0.000 0.910 270 D CB 0.783 41.575 40.800 -0.014 0.000 1.097 270 D HN 0.624 nan 8.370 nan 0.000 0.522 271 T N -0.465 114.105 114.554 0.027 0.000 2.912 271 T HA 0.469 4.819 4.350 -0.000 0.000 0.299 271 T C -0.062 174.712 174.700 0.124 0.000 1.052 271 T CA -1.033 61.116 62.100 0.081 0.000 0.996 271 T CB 1.584 70.477 68.868 0.042 0.000 1.070 271 T HN 0.043 nan 8.240 nan 0.000 0.465 272 K N 3.675 124.173 120.400 0.164 0.000 2.419 272 K HA 0.230 4.550 4.320 -0.000 0.000 0.282 272 K C -2.031 174.714 176.600 0.243 0.000 1.056 272 K CA -1.175 55.203 56.287 0.152 0.000 1.035 272 K CB 0.012 32.581 32.500 0.114 0.000 0.921 272 K HN 0.475 nan 8.250 nan 0.000 0.472 273 P HA -0.140 nan 4.420 nan 0.000 0.267 273 P C -0.649 176.797 177.300 0.243 0.000 1.195 273 P CA 0.141 63.400 63.100 0.266 0.000 0.773 273 P CB 0.671 32.464 31.700 0.155 0.000 0.837 274 L N 2.482 123.877 121.223 0.287 0.000 2.295 274 L HA 0.298 4.638 4.340 -0.000 0.000 0.285 274 L C 0.519 177.434 176.870 0.076 0.000 1.035 274 L CA -0.857 54.024 54.840 0.067 0.000 0.806 274 L CB 0.921 42.877 42.059 -0.171 0.000 1.214 274 L HN 0.263 nan 8.230 nan 0.000 0.426 275 K N 6.185 126.611 120.400 0.043 0.000 2.249 275 K HA 0.246 4.566 4.320 -0.000 0.000 0.280 275 K C 0.011 176.631 176.600 0.032 0.000 1.033 275 K CA -0.316 55.998 56.287 0.046 0.000 0.946 275 K CB 1.488 34.019 32.500 0.052 0.000 1.005 275 K HN 0.701 nan 8.250 nan 0.000 0.469 276 L N 2.033 123.266 121.223 0.017 0.000 2.872 276 L HA 0.085 4.425 4.340 -0.000 0.000 0.245 276 L C 0.408 177.303 176.870 0.042 0.000 1.211 276 L CA -0.192 54.642 54.840 -0.010 0.000 1.013 276 L CB 0.033 42.035 42.059 -0.095 0.000 1.326 276 L HN 0.664 nan 8.230 nan 0.000 0.525 277 T N -3.346 111.260 114.554 0.087 0.000 2.908 277 T HA 0.493 4.843 4.350 -0.000 0.000 0.290 277 T C -0.457 174.371 174.700 0.213 0.000 1.034 277 T CA -0.699 61.490 62.100 0.149 0.000 1.010 277 T CB 2.131 71.050 68.868 0.085 0.000 1.068 277 T HN 0.180 nan 8.240 nan 0.000 0.481 278 H N 0.108 119.231 119.070 0.089 0.000 2.492 278 H HA 0.693 5.249 4.556 -0.000 0.000 0.345 278 H C -0.250 175.168 175.328 0.151 0.000 1.136 278 H CA -0.975 55.140 56.048 0.112 0.000 1.202 278 H CB 1.147 30.980 29.762 0.118 0.000 1.524 278 H HN 0.791 nan 8.280 nan 0.000 0.506 279 S N 2.164 117.927 115.700 0.104 0.000 2.669 279 S HA 0.286 4.756 4.470 -0.000 0.000 0.270 279 S C 0.730 175.421 174.600 0.152 0.000 1.225 279 S CA -0.407 57.816 58.200 0.039 0.000 0.991 279 S CB 1.177 64.380 63.200 0.005 0.000 0.987 279 S HN 0.990 nan 8.310 nan 0.000 0.552 280 W N -0.976 120.306 121.300 -0.030 0.000 4.853 280 W HA 0.265 4.925 4.660 -0.000 0.000 0.186 280 W C -0.328 176.203 176.519 0.020 0.000 1.039 280 W CA -0.431 56.920 57.345 0.010 0.000 1.894 280 W CB -0.887 28.568 29.460 -0.008 0.000 0.673 280 W HN 0.584 nan 8.180 nan 0.000 1.004 281 Q N 2.842 122.043 119.800 -0.998 0.000 2.431 281 Q HA 0.071 4.411 4.340 -0.000 0.000 0.349 281 Q C 0.480 176.304 176.000 -0.294 0.000 1.119 281 Q CA 1.681 56.948 55.803 -0.894 0.000 1.065 281 Q CB 0.447 28.548 28.738 -1.061 0.000 1.149 281 Q HN 0.194 nan 8.270 nan 0.000 0.403 282 T N -1.253 113.210 114.554 -0.152 0.000 2.910 282 T HA 0.262 4.612 4.350 -0.000 0.000 0.287 282 T C 0.536 175.182 174.700 -0.090 0.000 1.050 282 T CA -0.989 61.067 62.100 -0.073 0.000 1.011 282 T CB 0.822 69.689 68.868 -0.001 0.000 1.195 282 T HN 0.439 nan 8.240 nan 0.000 0.540 283 N N 0.085 118.745 118.700 -0.066 0.000 2.258 283 N HA -0.086 4.654 4.740 -0.000 0.000 0.187 283 N C 1.378 176.858 175.510 -0.050 0.000 1.012 283 N CA 0.725 53.731 53.050 -0.073 0.000 0.870 283 N CB -0.231 38.226 38.487 -0.050 0.000 0.977 283 N HN 0.315 nan 8.380 nan 0.000 0.434 284 R N 0.031 120.520 120.500 -0.018 0.000 2.363 284 R HA 0.234 4.574 4.340 -0.000 0.000 0.236 284 R C -0.120 176.193 176.300 0.023 0.000 0.966 284 R CA 0.178 56.286 56.100 0.014 0.000 1.100 284 R CB -0.197 30.127 30.300 0.040 0.000 1.125 284 R HN 0.103 nan 8.270 nan 0.000 0.514 285 S N 0.058 115.743 115.700 -0.024 0.000 2.924 285 S HA 0.319 4.789 4.470 -0.000 0.000 0.244 285 S C -0.228 174.296 174.600 -0.127 0.000 0.842 285 S CA -0.505 57.675 58.200 -0.033 0.000 1.086 285 S CB 0.537 63.729 63.200 -0.014 0.000 1.295 285 S HN 0.045 nan 8.310 nan 0.000 0.500 286 L N 2.286 123.444 121.223 -0.109 0.000 2.342 286 L HA 0.738 5.078 4.340 -0.000 0.000 0.276 286 L C 0.739 177.575 176.870 -0.056 0.000 0.997 286 L CA -0.195 54.553 54.840 -0.153 0.000 0.838 286 L CB 1.190 43.060 42.059 -0.316 0.000 1.224 286 L HN 0.569 nan 8.230 nan 0.000 0.416 287 G N 2.621 111.514 108.800 0.154 0.000 2.512 287 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.210 287 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.210 287 G C -1.217 173.742 174.900 0.098 0.000 1.295 287 G CA -0.857 44.374 45.100 0.218 0.000 0.934 287 G HN 0.435 nan 8.290 nan 0.000 0.554 288 L N 2.592 123.847 121.223 0.053 0.000 2.385 288 L HA 0.578 4.918 4.340 -0.000 0.000 0.281 288 L C -1.468 175.407 176.870 0.009 0.000 1.106 288 L CA -1.232 53.618 54.840 0.018 0.000 0.856 288 L CB 0.056 42.108 42.059 -0.011 0.000 1.186 288 L HN 0.452 nan 8.230 nan 0.000 0.453 289 P HA 0.159 nan 4.420 nan 0.000 0.268 289 P C -2.472 174.835 177.300 0.010 0.000 1.205 289 P CA -0.761 62.354 63.100 0.025 0.000 0.771 289 P CB -0.222 31.502 31.700 0.040 0.000 0.858 290 P HA -0.004 nan 4.420 nan 0.000 0.264 290 P C -0.316 176.986 177.300 0.003 0.000 1.193 290 P CA 0.102 63.202 63.100 0.000 0.000 0.763 290 P CB 0.687 32.397 31.700 0.015 0.000 0.810 291 K N 3.212 123.608 120.400 -0.007 0.000 2.368 291 K HA 0.133 4.453 4.320 -0.000 0.000 0.282 291 K C 0.055 176.657 176.600 0.004 0.000 1.035 291 K CA -0.552 55.734 56.287 -0.002 0.000 0.973 291 K CB 0.112 32.607 32.500 -0.008 0.000 0.957 291 K HN 0.251 nan 8.250 nan 0.000 0.474 292 L N 4.208 125.436 121.223 0.008 0.000 2.479 292 L HA 0.267 4.607 4.340 -0.000 0.000 0.249 292 L C 0.796 177.671 176.870 0.009 0.000 1.178 292 L CA -0.160 54.687 54.840 0.012 0.000 0.811 292 L CB -0.089 41.979 42.059 0.015 0.000 1.187 292 L HN 0.747 nan 8.230 nan 0.000 0.480 293 L N -2.872 118.357 121.223 0.011 0.000 3.259 293 L HA 0.519 4.859 4.340 -0.000 0.000 0.292 293 L C -0.212 176.663 176.870 0.009 0.000 1.219 293 L CA 0.182 55.027 54.840 0.008 0.000 1.035 293 L CB 0.696 42.761 42.059 0.009 0.000 1.424 293 L HN 0.600 nan 8.230 nan 0.000 0.603 294 T N 0.555 115.116 114.554 0.012 0.000 3.160 294 T HA 0.299 4.649 4.350 -0.000 0.000 0.344 294 T C -0.711 173.999 174.700 0.017 0.000 0.981 294 T CA -0.309 61.799 62.100 0.013 0.000 1.170 294 T CB 1.125 70.002 68.868 0.014 0.000 1.016 294 T HN 0.193 nan 8.240 nan 0.000 0.492 295 E N 3.203 123.411 120.200 0.014 0.000 2.289 295 E HA 0.308 4.658 4.350 -0.000 0.000 0.278 295 E C -2.176 174.437 176.600 0.023 0.000 1.032 295 E CA -1.832 54.578 56.400 0.016 0.000 0.854 295 E CB 0.560 30.265 29.700 0.008 0.000 1.046 295 E HN 0.296 nan 8.360 nan 0.000 0.409 296 P HA -0.064 nan 4.420 nan 0.000 0.269 296 P C -0.006 177.324 177.300 0.049 0.000 1.205 296 P CA 0.339 63.472 63.100 0.055 0.000 0.780 296 P CB 0.511 32.254 31.700 0.071 0.000 0.858 297 T N -1.626 112.969 114.554 0.069 0.000 3.040 297 T HA 0.149 4.499 4.350 -0.000 0.000 0.266 297 T C -0.061 174.686 174.700 0.078 0.000 1.005 297 T CA 0.068 62.200 62.100 0.054 0.000 0.906 297 T CB 0.075 68.966 68.868 0.039 0.000 1.082 297 T HN 0.443 nan 8.240 nan 0.000 0.531 298 T N 1.619 116.258 114.554 0.141 0.000 2.928 298 T HA 0.363 4.713 4.350 -0.000 0.000 0.296 298 T C -0.499 174.198 174.700 -0.005 0.000 1.000 298 T CA -0.881 61.308 62.100 0.149 0.000 0.989 298 T CB 2.302 71.374 68.868 0.339 0.000 1.005 298 T HN 0.031 nan 8.240 nan 0.000 0.442 299 E N 1.206 121.369 120.200 -0.062 0.000 2.492 299 E HA 0.344 4.694 4.350 -0.000 0.000 0.266 299 E C 0.709 177.145 176.600 -0.274 0.000 1.047 299 E CA 1.231 57.556 56.400 -0.124 0.000 0.968 299 E CB 0.270 29.924 29.700 -0.077 0.000 0.960 299 E HN 1.165 nan 8.360 nan 0.000 0.452 300 G N 2.404 111.078 108.800 -0.209 0.000 3.069 300 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.686 300 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.686 300 G C -0.087 174.700 174.900 -0.188 0.000 1.161 300 G CA -0.505 44.457 45.100 -0.230 0.000 0.804 300 G HN 0.518 nan 8.290 nan 0.000 0.608 301 D N 1.090 121.430 120.400 -0.100 0.000 2.403 301 D HA -0.072 4.568 4.640 -0.000 0.000 0.227 301 D C 2.311 178.594 176.300 -0.028 0.000 0.995 301 D CA 1.280 55.250 54.000 -0.050 0.000 0.928 301 D CB 0.284 41.068 40.800 -0.027 0.000 0.887 301 D HN 0.751 nan 8.370 nan 0.000 0.529 302 Q N -0.003 119.761 119.800 -0.060 0.000 1.967 302 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 302 Q C 0.466 176.563 176.000 0.161 0.000 0.985 302 Q CA 0.954 56.784 55.803 0.045 0.000 0.839 302 Q CB -0.416 28.364 28.738 0.071 0.000 0.906 302 Q HN 0.559 nan 8.270 nan 0.000 0.423 303 H N 2.515 121.589 119.070 0.006 0.000 2.955 303 H HA 0.162 4.718 4.556 -0.000 0.000 0.290 303 H C -1.959 173.373 175.328 0.007 0.000 1.047 303 H CA -1.887 54.165 56.048 0.006 0.000 1.484 303 H CB 0.122 29.887 29.762 0.004 0.000 1.501 303 H HN 0.278 nan 8.280 nan 0.000 0.521 304 P HA 0.283 nan 4.420 nan 0.000 0.314 304 P C 0.166 177.503 177.300 0.061 0.000 1.306 304 P CA -0.634 62.510 63.100 0.073 0.000 0.782 304 P CB 1.504 33.240 31.700 0.060 0.000 1.337 305 G N -1.135 107.691 108.800 0.044 0.000 2.509 305 G HA2 0.591 4.551 3.960 -0.000 0.000 0.328 305 G HA3 0.591 4.551 3.960 -0.000 0.000 0.328 305 G C -1.006 173.912 174.900 0.031 0.000 1.194 305 G CA -0.435 44.685 45.100 0.035 0.000 0.967 305 G HN 0.435 nan 8.290 nan 0.000 0.488 306 T N 0.368 114.937 114.554 0.025 0.000 2.888 306 T HA 0.584 4.934 4.350 -0.000 0.000 0.284 306 T C -0.134 174.580 174.700 0.023 0.000 1.017 306 T CA -0.280 61.834 62.100 0.023 0.000 1.022 306 T CB 1.455 70.334 68.868 0.018 0.000 1.013 306 T HN 0.262 nan 8.240 nan 0.000 0.465 307 L N 2.839 124.077 121.223 0.025 0.000 2.334 307 L HA 0.495 4.835 4.340 -0.000 0.000 0.273 307 L C -2.211 174.674 176.870 0.025 0.000 1.013 307 L CA -2.511 52.344 54.840 0.026 0.000 0.816 307 L CB 1.444 43.523 42.059 0.032 0.000 1.278 307 L HN 0.369 nan 8.230 nan 0.000 0.431 308 P HA 0.044 nan 4.420 nan 0.000 0.269 308 P C -0.421 176.897 177.300 0.030 0.000 1.217 308 P CA -0.233 62.880 63.100 0.022 0.000 0.783 308 P CB 0.460 32.172 31.700 0.019 0.000 0.898 309 A N 1.659 124.496 122.820 0.028 0.000 2.482 309 A HA 0.335 4.655 4.320 -0.000 0.000 0.249 309 A C 1.346 178.956 177.584 0.043 0.000 1.114 309 A CA 0.602 52.658 52.037 0.032 0.000 0.797 309 A CB -0.793 18.224 19.000 0.027 0.000 1.067 309 A HN 0.607 nan 8.150 nan 0.000 0.514 310 A N 0.690 123.538 122.820 0.046 0.000 2.877 310 A HA -0.001 4.319 4.320 -0.000 0.000 0.167 310 A C 1.722 179.346 177.584 0.066 0.000 1.210 310 A CA 1.518 53.591 52.037 0.060 0.000 0.889 310 A CB -1.153 17.872 19.000 0.043 0.000 0.935 310 A HN 1.175 nan 8.150 nan 0.000 0.544 311 N N -0.524 118.203 118.700 0.046 0.000 1.586 311 N HA -0.335 4.405 4.740 -0.000 0.000 0.124 311 N C 1.255 176.817 175.510 0.087 0.000 0.199 311 N CA 3.241 56.321 53.050 0.050 0.000 1.284 311 N CB -2.123 36.383 38.487 0.032 0.000 1.045 311 N HN 0.730 nan 8.380 nan 0.000 0.871 312 T N 0.432 115.023 114.554 0.063 0.000 3.093 312 T HA -0.094 4.256 4.350 -0.000 0.000 0.270 312 T C 1.028 175.759 174.700 0.053 0.000 1.170 312 T CA 0.932 63.064 62.100 0.053 0.000 1.072 312 T CB -0.258 68.629 68.868 0.033 0.000 0.863 312 T HN 0.344 nan 8.240 nan 0.000 0.562 313 R N 1.720 122.272 120.500 0.088 0.000 2.560 313 R HA 0.496 4.836 4.340 -0.000 0.000 0.270 313 R C 0.136 176.387 176.300 -0.083 0.000 1.074 313 R CA -0.418 55.700 56.100 0.029 0.000 1.140 313 R CB 0.630 30.976 30.300 0.076 0.000 1.073 313 R HN 0.439 nan 8.270 nan 0.000 0.527 314 K N 0.220 120.473 120.400 -0.245 0.000 2.328 314 K HA 0.799 5.119 4.320 -0.000 0.000 0.246 314 K C -0.114 176.148 176.600 -0.564 0.000 0.955 314 K CA -0.970 55.103 56.287 -0.356 0.000 0.817 314 K CB 2.209 34.616 32.500 -0.154 0.000 1.208 314 K HN 0.745 nan 8.250 nan 0.000 0.432 315 G N 0.237 108.720 108.800 -0.528 0.000 2.302 315 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.276 315 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.276 315 G C -1.460 173.398 174.900 -0.070 0.000 1.316 315 G CA -1.068 43.841 45.100 -0.319 0.000 0.988 315 G HN 0.508 nan 8.290 nan 0.000 0.479 316 Y N -0.184 120.052 120.300 -0.108 0.000 2.334 316 Y HA 0.653 5.203 4.550 -0.000 0.000 0.325 316 Y C 0.618 176.729 175.900 0.352 0.000 1.308 316 Y CA -0.497 57.666 58.100 0.105 0.000 1.389 316 Y CB 1.654 40.168 38.460 0.090 0.000 1.328 316 Y HN 0.697 nan 8.280 nan 0.000 0.532 317 H N 0.654 119.984 119.070 0.433 0.000 3.087 317 H HA 0.119 4.675 4.556 -0.000 0.000 0.348 317 H C -0.919 174.509 175.328 0.167 0.000 1.092 317 H CA -1.061 55.184 56.048 0.329 0.000 1.285 317 H CB 1.744 31.681 29.762 0.292 0.000 1.875 317 H HN 0.637 nan 8.280 nan 0.000 0.512 318 Q N 2.715 122.547 119.800 0.053 0.000 2.217 318 Q HA 0.225 4.565 4.340 -0.000 0.000 0.226 318 Q C -0.485 175.437 176.000 -0.130 0.000 0.875 318 Q CA 0.005 55.803 55.803 -0.009 0.000 0.974 318 Q CB 0.328 29.067 28.738 0.002 0.000 1.079 318 Q HN 0.739 nan 8.270 nan 0.000 0.463 319 T N -4.935 109.459 114.554 -0.266 0.000 2.841 319 T HA 0.428 4.778 4.350 -0.000 0.000 0.296 319 T C 0.771 175.379 174.700 -0.153 0.000 1.166 319 T CA -0.772 61.151 62.100 -0.294 0.000 1.007 319 T CB 0.745 69.311 68.868 -0.503 0.000 1.253 319 T HN 0.078 nan 8.240 nan 0.000 0.511 320 I N 1.034 121.555 120.570 -0.083 0.000 2.339 320 I HA 0.030 4.200 4.170 -0.000 0.000 0.245 320 I C 1.088 177.212 176.117 0.012 0.000 1.096 320 I CA 0.169 61.461 61.300 -0.013 0.000 1.408 320 I CB -0.569 37.420 38.000 -0.018 0.000 1.092 320 I HN 0.802 nan 8.210 nan 0.000 0.423 321 N N 2.315 121.010 118.700 -0.008 0.000 2.131 321 N HA -0.211 4.529 4.740 -0.000 0.000 0.276 321 N C 0.513 175.978 175.510 -0.076 0.000 1.295 321 N CA 0.164 53.205 53.050 -0.015 0.000 0.818 321 N CB -0.029 38.455 38.487 -0.006 0.000 1.049 321 N HN 0.202 nan 8.380 nan 0.000 0.484 322 N N 0.575 119.218 118.700 -0.095 0.000 2.680 322 N HA -0.102 4.638 4.740 -0.000 0.000 0.197 322 N C -0.737 174.602 175.510 -0.284 0.000 1.288 322 N CA 0.260 53.214 53.050 -0.160 0.000 0.924 322 N CB -0.107 38.359 38.487 -0.035 0.000 1.025 322 N HN 0.712 nan 8.380 nan 0.000 0.447 323 S N 0.027 115.546 115.700 -0.301 0.000 2.530 323 S HA 0.314 4.784 4.470 -0.000 0.000 0.322 323 S C -0.739 173.659 174.600 -0.337 0.000 1.085 323 S CA -0.820 57.245 58.200 -0.224 0.000 1.096 323 S CB 0.336 63.508 63.200 -0.047 0.000 0.988 323 S HN 0.064 nan 8.310 nan 0.000 0.466 324 Y N 2.152 122.348 120.300 -0.174 0.000 2.627 324 Y HA 0.319 4.869 4.550 -0.000 0.000 0.347 324 Y C 1.044 176.956 175.900 0.021 0.000 1.099 324 Y CA -0.463 57.512 58.100 -0.209 0.000 1.408 324 Y CB -0.064 38.222 38.460 -0.289 0.000 1.247 324 Y HN 0.562 nan 8.280 nan 0.000 0.506 325 T N 2.086 116.785 114.554 0.242 0.000 2.918 325 T HA 0.079 4.429 4.350 -0.000 0.000 0.283 325 T C 1.151 175.951 174.700 0.167 0.000 1.001 325 T CA -0.796 61.408 62.100 0.174 0.000 1.041 325 T CB 1.294 70.246 68.868 0.140 0.000 1.028 325 T HN 0.505 nan 8.240 nan 0.000 0.511 326 E N 1.440 121.711 120.200 0.117 0.000 2.051 326 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 326 E C 2.414 179.065 176.600 0.086 0.000 0.991 326 E CA 1.404 57.861 56.400 0.094 0.000 0.799 326 E CB -0.643 29.103 29.700 0.077 0.000 0.748 326 E HN 0.731 nan 8.360 nan 0.000 0.449 327 A N 0.878 123.750 122.820 0.086 0.000 1.940 327 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 327 A C 1.870 179.484 177.584 0.051 0.000 1.176 327 A CA 1.988 54.066 52.037 0.068 0.000 0.631 327 A CB -0.659 18.394 19.000 0.088 0.000 0.814 327 A HN 0.296 nan 8.150 nan 0.000 0.446 328 T N -2.106 112.495 114.554 0.078 0.000 3.379 328 T HA 0.691 5.041 4.350 -0.000 0.000 0.274 328 T C -0.233 174.556 174.700 0.149 0.000 1.555 328 T CA 0.095 62.228 62.100 0.055 0.000 1.297 328 T CB -0.044 68.830 68.868 0.010 0.000 1.132 328 T HN 0.717 nan 8.240 nan 0.000 0.722 329 A N 2.743 125.638 122.820 0.125 0.000 2.413 329 A HA 0.733 5.053 4.320 -0.000 0.000 0.307 329 A C -0.062 177.587 177.584 0.108 0.000 1.087 329 A CA -1.026 51.117 52.037 0.177 0.000 0.750 329 A CB 0.978 20.059 19.000 0.134 0.000 1.296 329 A HN 0.540 nan 8.150 nan 0.000 0.423 330 I N 2.176 122.826 120.570 0.133 0.000 2.668 330 I HA 0.142 4.312 4.170 -0.000 0.000 0.285 330 I C 0.022 176.133 176.117 -0.011 0.000 1.168 330 I CA 0.597 61.944 61.300 0.079 0.000 1.424 330 I CB -0.095 37.978 38.000 0.122 0.000 1.377 330 I HN 0.520 nan 8.210 nan 0.000 0.560 331 R N 7.186 127.668 120.500 -0.032 0.000 2.795 331 R HA 0.421 4.761 4.340 -0.000 0.000 0.275 331 R C -1.626 174.601 176.300 -0.122 0.000 0.981 331 R CA -1.979 54.057 56.100 -0.107 0.000 0.917 331 R CB 0.157 30.393 30.300 -0.106 0.000 1.202 331 R HN 0.231 nan 8.270 nan 0.000 0.469 332 P HA -0.091 nan 4.420 nan 0.000 0.215 332 P C -0.279 176.957 177.300 -0.107 0.000 1.157 332 P CA 1.697 64.686 63.100 -0.185 0.000 0.874 332 P CB 0.389 31.855 31.700 -0.390 0.000 0.790 333 A N -2.206 120.540 122.820 -0.124 0.000 2.791 333 A HA 0.462 4.782 4.320 -0.000 0.000 0.309 333 A C -1.473 176.078 177.584 -0.055 0.000 1.200 333 A CA -0.529 51.468 52.037 -0.066 0.000 0.635 333 A CB 0.266 19.238 19.000 -0.048 0.000 1.393 333 A HN -0.044 nan 8.150 nan 0.000 0.557 334 Q N 0.831 120.620 119.800 -0.017 0.000 2.398 334 Q HA 0.556 4.896 4.340 -0.000 0.000 0.251 334 Q C -1.644 174.373 176.000 0.027 0.000 0.999 334 Q CA -0.378 55.431 55.803 0.010 0.000 0.874 334 Q CB 1.005 29.771 28.738 0.046 0.000 1.215 334 Q HN 0.484 nan 8.270 nan 0.000 0.470 335 V N 5.172 125.090 119.914 0.006 0.000 2.339 335 V HA 0.603 4.723 4.120 -0.000 0.000 0.261 335 V C 0.703 176.833 176.094 0.060 0.000 1.058 335 V CA 0.813 63.123 62.300 0.016 0.000 0.897 335 V CB -0.140 31.664 31.823 -0.032 0.000 1.052 335 V HN 1.024 nan 8.190 nan 0.000 0.480 336 G N 4.856 113.737 108.800 0.134 0.000 2.483 336 G HA2 0.077 4.037 3.960 -0.000 0.000 0.521 336 G HA3 0.077 4.037 3.960 -0.000 0.000 0.521 336 G C -1.059 174.054 174.900 0.355 0.000 1.278 336 G CA -0.100 45.120 45.100 0.198 0.000 0.965 336 G HN 1.981 nan 8.290 nan 0.000 0.504 337 Y N -2.275 118.023 120.300 -0.003 0.000 2.575 337 Y HA 0.544 5.094 4.550 -0.000 0.000 0.346 337 Y C -1.049 174.850 175.900 -0.001 0.000 1.260 337 Y CA -1.176 56.935 58.100 0.019 0.000 1.317 337 Y CB 0.105 38.599 38.460 0.057 0.000 1.352 337 Y HN 0.680 nan 8.280 nan 0.000 0.492 338 N N 2.917 121.545 118.700 -0.119 0.000 2.458 338 N HA 0.320 5.060 4.740 -0.000 0.000 0.270 338 N C -0.975 174.471 175.510 -0.106 0.000 1.102 338 N CA -0.120 52.823 53.050 -0.179 0.000 0.967 338 N CB 1.747 40.213 38.487 -0.034 0.000 1.078 338 N HN 0.698 nan 8.380 nan 0.000 0.471 339 T N 2.611 117.049 114.554 -0.194 0.000 2.758 339 T HA 0.267 4.617 4.350 -0.000 0.000 0.285 339 T C -2.393 172.364 174.700 0.095 0.000 0.981 339 T CA -1.490 60.608 62.100 -0.003 0.000 0.965 339 T CB 1.426 70.269 68.868 -0.042 0.000 0.927 339 T HN 0.295 nan 8.240 nan 0.000 0.448 340 P HA -0.133 nan 4.420 nan 0.000 0.248 340 P C -0.700 176.747 177.300 0.246 0.000 1.127 340 P CA 0.130 63.356 63.100 0.211 0.000 0.801 340 P CB -0.455 31.336 31.700 0.153 0.000 0.732 341 Y N 2.701 123.012 120.300 0.018 0.000 2.316 341 Y HA 0.514 5.064 4.550 -0.000 0.000 0.331 341 Y C 1.017 176.948 175.900 0.052 0.000 1.083 341 Y CA -2.225 55.886 58.100 0.019 0.000 1.206 341 Y CB 0.648 39.102 38.460 -0.010 0.000 1.195 341 Y HN 0.198 nan 8.280 nan 0.000 0.497 342 M N 0.906 120.615 119.600 0.182 0.000 2.879 342 M HA -0.261 4.219 4.480 -0.000 0.000 0.210 342 M C -0.636 175.855 176.300 0.318 0.000 0.550 342 M CA 0.505 55.936 55.300 0.218 0.000 0.732 342 M CB -2.431 30.225 32.600 0.094 0.000 2.662 342 M HN 0.949 nan 8.290 nan 0.000 0.516 343 N N 0.524 119.355 118.700 0.219 0.000 2.514 343 N HA 0.424 5.164 4.740 -0.000 0.000 0.277 343 N C -1.305 174.359 175.510 0.256 0.000 1.126 343 N CA 0.204 53.386 53.050 0.220 0.000 0.978 343 N CB 0.542 39.096 38.487 0.113 0.000 1.106 343 N HN 0.072 nan 8.380 nan 0.000 0.461 344 F N 1.832 121.740 119.950 -0.070 0.000 2.426 344 F HA 0.369 4.896 4.527 -0.000 0.000 0.348 344 F C 0.614 176.271 175.800 -0.239 0.000 1.124 344 F CA -0.742 57.175 58.000 -0.137 0.000 1.008 344 F CB 1.256 40.208 39.000 -0.082 0.000 1.139 344 F HN 0.336 nan 8.300 nan 0.000 0.452 345 E N 1.941 121.852 120.200 -0.483 0.000 2.227 345 E HA 0.350 4.700 4.350 -0.000 0.000 0.268 345 E C -1.700 174.518 176.600 -0.637 0.000 0.990 345 E CA -0.953 55.124 56.400 -0.538 0.000 0.856 345 E CB 2.300 31.651 29.700 -0.582 0.000 1.159 345 E HN 0.555 nan 8.360 nan 0.000 0.401 346 Y N 0.850 120.927 120.300 -0.370 0.000 2.329 346 Y HA 0.336 4.886 4.550 -0.000 0.000 0.328 346 Y C -0.918 174.964 175.900 -0.030 0.000 0.992 346 Y CA -0.334 57.652 58.100 -0.191 0.000 1.151 346 Y CB 1.709 40.117 38.460 -0.087 0.000 1.150 346 Y HN 0.440 nan 8.280 nan 0.000 0.450 347 S N 4.483 120.122 115.700 -0.101 0.000 2.548 347 S HA 0.340 4.810 4.470 -0.000 0.000 0.286 347 S C 0.474 174.983 174.600 -0.151 0.000 1.098 347 S CA -0.641 57.565 58.200 0.011 0.000 0.930 347 S CB 0.975 64.260 63.200 0.141 0.000 1.070 347 S HN 0.985 nan 8.310 nan 0.000 0.480 348 N N 2.507 121.179 118.700 -0.047 0.000 1.766 348 N HA -0.292 4.448 4.740 -0.000 0.000 0.130 348 N C 1.505 176.937 175.510 -0.130 0.000 0.518 348 N CA 2.441 55.461 53.050 -0.050 0.000 0.812 348 N CB -1.242 37.241 38.487 -0.007 0.000 0.765 348 N HN 0.859 nan 8.380 nan 0.000 1.327 349 G N 0.408 109.133 108.800 -0.125 0.000 2.586 349 G HA2 0.292 4.252 3.960 -0.000 0.000 0.215 349 G HA3 0.292 4.252 3.960 -0.000 0.000 0.215 349 G C 0.797 175.584 174.900 -0.189 0.000 1.128 349 G CA 1.299 46.326 45.100 -0.121 0.000 0.774 349 G HN 0.859 nan 8.290 nan 0.000 0.543 350 G N -0.704 107.808 108.800 -0.480 0.000 2.318 350 G HA2 0.132 4.092 3.960 -0.000 0.000 0.367 350 G HA3 0.132 4.092 3.960 -0.000 0.000 0.367 350 G C -3.241 171.185 174.900 -0.790 0.000 1.260 350 G CA -0.349 44.315 45.100 -0.727 0.000 1.055 350 G HN 0.235 nan 8.290 nan 0.000 0.484 351 P HA 0.779 nan 4.420 nan 0.000 0.283 351 P C -1.069 176.304 177.300 0.122 0.000 1.271 351 P CA -0.359 62.818 63.100 0.128 0.000 0.841 351 P CB 1.286 33.249 31.700 0.439 0.000 1.122 352 F N -1.882 118.075 119.950 0.011 0.000 2.769 352 F HA 0.404 4.931 4.527 -0.000 0.000 0.313 352 F C -1.945 173.511 175.800 -0.572 0.000 1.146 352 F CA -1.492 56.373 58.000 -0.224 0.000 0.934 352 F CB 0.273 39.167 39.000 -0.178 0.000 1.283 352 F HN 0.222 nan 8.300 nan 0.000 0.443 353 L N 2.327 123.249 121.223 -0.501 0.000 2.416 353 L HA 0.490 4.830 4.340 -0.000 0.000 0.272 353 L C -0.055 176.783 176.870 -0.054 0.000 1.161 353 L CA 0.038 54.473 54.840 -0.675 0.000 0.845 353 L CB 1.131 42.863 42.059 -0.544 0.000 1.119 353 L HN 0.861 nan 8.230 nan 0.000 0.464 354 T N 6.893 121.416 114.554 -0.052 0.000 2.727 354 T HA 0.248 4.598 4.350 -0.000 0.000 0.295 354 T C -2.266 172.463 174.700 0.048 0.000 0.915 354 T CA -0.827 61.333 62.100 0.099 0.000 1.066 354 T CB 0.296 69.216 68.868 0.086 0.000 0.891 354 T HN 0.516 nan 8.240 nan 0.000 0.516 355 P HA 0.117 nan 4.420 nan 0.000 0.266 355 P C -0.746 176.575 177.300 0.035 0.000 1.193 355 P CA -0.214 62.894 63.100 0.015 0.000 0.770 355 P CB 0.582 32.278 31.700 -0.006 0.000 0.836 356 I N 1.833 122.416 120.570 0.023 0.000 2.465 356 I HA 0.186 4.356 4.170 -0.000 0.000 0.291 356 I C 0.413 176.546 176.117 0.027 0.000 1.014 356 I CA -1.366 59.942 61.300 0.014 0.000 1.093 356 I CB 1.437 39.420 38.000 -0.028 0.000 1.267 356 I HN 0.028 nan 8.210 nan 0.000 0.431 357 V N 8.357 128.310 119.914 0.065 0.000 2.452 357 V HA 0.021 4.141 4.120 -0.000 0.000 0.286 357 V C -1.607 174.519 176.094 0.052 0.000 0.995 357 V CA -0.584 61.770 62.300 0.090 0.000 1.116 357 V CB -0.012 31.914 31.823 0.172 0.000 0.954 357 V HN 0.597 nan 8.190 nan 0.000 0.473 358 P HA 0.155 nan 4.420 nan 0.000 0.265 358 P C -0.262 177.086 177.300 0.079 0.000 1.222 358 P CA 0.251 63.395 63.100 0.073 0.000 0.767 358 P CB 0.574 32.347 31.700 0.123 0.000 0.801 359 T N 1.844 116.421 114.554 0.038 0.000 2.901 359 T HA 0.560 4.910 4.350 -0.000 0.000 0.293 359 T C -0.235 174.468 174.700 0.005 0.000 1.084 359 T CA -0.395 61.727 62.100 0.036 0.000 1.008 359 T CB 1.678 70.560 68.868 0.024 0.000 1.170 359 T HN 0.396 nan 8.240 nan 0.000 0.509 360 A N 1.814 124.640 122.820 0.011 0.000 2.520 360 A HA 0.416 4.736 4.320 -0.000 0.000 0.235 360 A C 0.357 177.936 177.584 -0.010 0.000 1.065 360 A CA -0.283 51.747 52.037 -0.011 0.000 0.764 360 A CB -0.404 18.609 19.000 0.022 0.000 1.002 360 A HN 0.890 nan 8.150 nan 0.000 0.502 361 D N 0.591 120.982 120.400 -0.015 0.000 2.398 361 D HA 0.435 5.075 4.640 -0.000 0.000 0.247 361 D C 0.566 176.878 176.300 0.019 0.000 1.227 361 D CA 0.263 54.259 54.000 -0.006 0.000 0.980 361 D CB 0.319 41.120 40.800 0.003 0.000 1.106 361 D HN 0.480 nan 8.370 nan 0.000 0.493 362 T N -1.615 112.953 114.554 0.023 0.000 2.880 362 T HA 0.162 4.512 4.350 -0.000 0.000 0.279 362 T C 0.935 175.717 174.700 0.137 0.000 0.990 362 T CA -0.378 61.749 62.100 0.046 0.000 0.938 362 T CB 0.609 69.452 68.868 -0.042 0.000 1.206 362 T HN 0.390 nan 8.240 nan 0.000 0.573 363 Q N -0.385 119.548 119.800 0.221 0.000 2.508 363 Q HA -0.020 4.320 4.340 -0.000 0.000 0.214 363 Q C -0.367 175.858 176.000 0.375 0.000 0.979 363 Q CA 1.131 57.104 55.803 0.284 0.000 0.911 363 Q CB -0.274 28.651 28.738 0.313 0.000 0.969 363 Q HN 0.546 nan 8.270 nan 0.000 0.504 364 Y N 0.799 121.108 120.300 0.016 0.000 2.783 364 Y HA 0.199 4.749 4.550 -0.000 0.000 0.382 364 Y C 0.063 175.967 175.900 0.007 0.000 1.076 364 Y CA -2.058 56.050 58.100 0.014 0.000 1.530 364 Y CB -0.720 37.748 38.460 0.013 0.000 1.546 364 Y HN 0.048 nan 8.280 nan 0.000 0.537 365 N N 2.595 121.379 118.700 0.139 0.000 1.865 365 N HA -0.195 4.545 4.740 -0.000 0.000 0.287 365 N C 0.382 175.935 175.510 0.071 0.000 1.348 365 N CA 0.782 53.880 53.050 0.080 0.000 0.968 365 N CB 0.354 38.873 38.487 0.053 0.000 1.358 365 N HN 0.570 nan 8.380 nan 0.000 0.478 366 D N 1.612 122.044 120.400 0.054 0.000 2.414 366 D HA -0.031 4.609 4.640 -0.000 0.000 0.237 366 D C 0.741 177.052 176.300 0.018 0.000 0.975 366 D CA 0.297 54.318 54.000 0.034 0.000 0.917 366 D CB 0.279 41.074 40.800 -0.009 0.000 1.061 366 D HN 0.497 nan 8.370 nan 0.000 0.480 367 D N 0.300 120.698 120.400 -0.002 0.000 4.493 367 D HA -0.245 4.395 4.640 -0.000 0.000 0.184 367 D C 1.442 177.739 176.300 -0.005 0.000 0.799 367 D CA 1.748 55.746 54.000 -0.004 0.000 1.795 367 D CB -1.042 39.763 40.800 0.009 0.000 1.062 367 D HN 0.218 nan 8.370 nan 0.000 0.445 368 E N 0.817 121.031 120.200 0.023 0.000 2.164 368 E HA -0.190 4.160 4.350 -0.000 0.000 0.206 368 E C -0.812 175.816 176.600 0.046 0.000 1.032 368 E CA 2.189 58.617 56.400 0.047 0.000 0.832 368 E CB -0.712 29.042 29.700 0.089 0.000 0.742 368 E HN 0.493 nan 8.360 nan 0.000 0.460 369 P HA -0.034 nan 4.420 nan 0.000 0.235 369 P C 0.457 177.652 177.300 -0.175 0.000 1.177 369 P CA 0.838 63.849 63.100 -0.148 0.000 0.785 369 P CB 0.208 31.585 31.700 -0.538 0.000 0.885 370 N N 0.307 118.936 118.700 -0.118 0.000 2.376 370 N HA 0.121 4.861 4.740 -0.000 0.000 0.249 370 N C 1.021 176.500 175.510 -0.052 0.000 1.140 370 N CA 0.330 53.317 53.050 -0.105 0.000 0.870 370 N CB -0.243 38.191 38.487 -0.087 0.000 1.124 370 N HN 0.090 nan 8.380 nan 0.000 0.505 371 G N 1.022 109.800 108.800 -0.036 0.000 2.337 371 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.290 371 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.290 371 G C 0.560 175.468 174.900 0.013 0.000 1.003 371 G CA 0.612 45.708 45.100 -0.007 0.000 0.825 371 G HN 0.602 nan 8.290 nan 0.000 0.509 372 A N -0.943 121.881 122.820 0.007 0.000 2.536 372 A HA 0.506 4.826 4.320 -0.000 0.000 0.234 372 A C 0.617 178.213 177.584 0.021 0.000 1.076 372 A CA 0.661 52.715 52.037 0.027 0.000 0.769 372 A CB 0.282 19.285 19.000 0.005 0.000 1.020 372 A HN 0.945 nan 8.150 nan 0.000 0.508 373 I N 1.036 121.649 120.570 0.071 0.000 2.411 373 I HA 0.326 4.496 4.170 -0.000 0.000 0.284 373 I C 0.242 176.252 176.117 -0.178 0.000 1.012 373 I CA -0.375 60.865 61.300 -0.100 0.000 1.119 373 I CB 1.608 39.525 38.000 -0.139 0.000 1.261 373 I HN 0.747 nan 8.210 nan 0.000 0.448 374 R N 6.309 126.648 120.500 -0.267 0.000 2.196 374 R HA 0.478 4.818 4.340 -0.000 0.000 0.340 374 R C -1.356 174.730 176.300 -0.358 0.000 1.043 374 R CA -0.147 55.805 56.100 -0.247 0.000 0.883 374 R CB 0.365 30.578 30.300 -0.144 0.000 1.078 374 R HN 0.273 nan 8.270 nan 0.000 0.462 375 F N 1.482 121.178 119.950 -0.422 0.000 2.378 375 F HA 0.394 4.921 4.527 -0.000 0.000 0.325 375 F C 0.855 176.576 175.800 -0.132 0.000 1.097 375 F CA -0.468 57.392 58.000 -0.232 0.000 1.079 375 F CB 2.005 40.931 39.000 -0.123 0.000 1.240 375 F HN 0.291 nan 8.300 nan 0.000 0.519 376 T N 4.088 118.725 114.554 0.138 0.000 2.809 376 T HA 0.408 4.758 4.350 -0.000 0.000 0.284 376 T C 0.339 175.090 174.700 0.084 0.000 0.992 376 T CA -0.732 61.416 62.100 0.080 0.000 0.957 376 T CB 0.517 69.386 68.868 0.003 0.000 0.942 376 T HN 0.280 nan 8.240 nan 0.000 0.439 377 M N 2.275 121.922 119.600 0.079 0.000 1.703 377 M HA 0.470 4.950 4.480 -0.000 0.000 0.141 377 M C 0.224 176.506 176.300 -0.030 0.000 1.136 377 M CA 0.001 55.320 55.300 0.032 0.000 0.771 377 M CB -0.081 32.532 32.600 0.022 0.000 0.942 377 M HN 0.598 nan 8.290 nan 0.000 0.416 378 D N -2.651 117.769 120.400 0.034 0.000 2.728 378 D HA 0.173 4.813 4.640 -0.000 0.000 0.249 378 D C -0.801 175.679 176.300 0.302 0.000 1.225 378 D CA -0.442 53.634 54.000 0.127 0.000 0.748 378 D CB 0.405 41.222 40.800 0.028 0.000 1.326 378 D HN 0.401 nan 8.370 nan 0.000 0.426 379 Y N 0.874 121.262 120.300 0.146 0.000 2.749 379 Y HA 0.046 4.596 4.550 -0.000 0.000 0.321 379 Y C 1.795 177.717 175.900 0.035 0.000 1.195 379 Y CA 1.289 59.456 58.100 0.112 0.000 1.338 379 Y CB 0.058 38.549 38.460 0.051 0.000 1.017 379 Y HN 0.456 nan 8.280 nan 0.000 0.517 380 Q N -1.531 118.370 119.800 0.168 0.000 2.040 380 Q HA 0.094 4.434 4.340 -0.000 0.000 0.212 380 Q C -0.831 174.859 176.000 -0.516 0.000 0.766 380 Q CA 0.140 55.910 55.803 -0.054 0.000 0.967 380 Q CB 0.524 29.193 28.738 -0.115 0.000 1.202 380 Q HN 0.424 nan 8.270 nan 0.000 0.446 381 H N -0.540 118.303 119.070 -0.378 0.000 2.439 381 H HA 0.562 5.118 4.556 -0.000 0.000 0.230 381 H C 0.179 175.362 175.328 -0.242 0.000 1.420 381 H CA 0.401 56.001 56.048 -0.747 0.000 1.305 381 H CB 1.075 30.305 29.762 -0.886 0.000 1.667 381 H HN 0.428 nan 8.280 nan 0.000 0.515 382 G N 0.609 109.379 108.800 -0.050 0.000 2.587 382 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.212 382 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.212 382 G C -0.904 173.939 174.900 -0.095 0.000 1.327 382 G CA -0.216 44.838 45.100 -0.075 0.000 0.898 382 G HN 1.073 nan 8.290 nan 0.000 0.551 383 H N -1.333 117.409 119.070 -0.547 0.000 3.532 383 H HA -0.065 4.491 4.556 -0.000 0.000 0.306 383 H C 0.809 175.947 175.328 -0.316 0.000 0.851 383 H CA 0.739 56.517 56.048 -0.450 0.000 0.926 383 H CB -1.219 28.409 29.762 -0.224 0.000 1.479 383 H HN 1.385 nan 8.280 nan 0.000 0.332 384 L N 4.707 125.568 121.223 -0.602 0.000 3.184 384 L HA -0.244 4.096 4.340 -0.000 0.000 0.341 384 L C 1.822 178.280 176.870 -0.687 0.000 1.112 384 L CA 1.220 55.753 54.840 -0.512 0.000 0.842 384 L CB -0.048 41.790 42.059 -0.369 0.000 1.260 384 L HN 0.912 nan 8.230 nan 0.000 0.573 385 T N -0.633 113.648 114.554 -0.456 0.000 2.720 385 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 385 T C 1.808 176.234 174.700 -0.458 0.000 1.037 385 T CA 1.825 63.668 62.100 -0.427 0.000 1.144 385 T CB -0.354 68.357 68.868 -0.261 0.000 0.864 385 T HN 0.895 nan 8.240 nan 0.000 0.444 386 T N 1.173 115.532 114.554 -0.324 0.000 2.770 386 T HA -0.016 4.334 4.350 -0.000 0.000 0.263 386 T C 1.435 176.003 174.700 -0.219 0.000 1.039 386 T CA 0.663 62.639 62.100 -0.206 0.000 1.142 386 T CB -0.932 67.864 68.868 -0.120 0.000 0.868 386 T HN 0.556 nan 8.240 nan 0.000 0.435 387 S N 2.078 117.601 115.700 -0.295 0.000 2.777 387 S HA -0.102 4.368 4.470 -0.000 0.000 0.333 387 S C 1.446 176.024 174.600 -0.038 0.000 1.226 387 S CA 0.355 58.444 58.200 -0.184 0.000 1.011 387 S CB 0.093 63.135 63.200 -0.264 0.000 0.697 387 S HN 0.765 nan 8.310 nan 0.000 0.481 388 S N 3.005 118.740 115.700 0.059 0.000 2.371 388 S HA -0.071 4.399 4.470 -0.000 0.000 0.224 388 S C 0.984 175.707 174.600 0.205 0.000 1.029 388 S CA 0.680 58.958 58.200 0.128 0.000 0.978 388 S CB -0.590 62.660 63.200 0.082 0.000 0.833 388 S HN 0.985 nan 8.310 nan 0.000 0.466 389 Q N 1.736 121.650 119.800 0.190 0.000 2.352 389 Q HA 0.145 4.485 4.340 -0.000 0.000 0.260 389 Q C -0.750 175.479 176.000 0.383 0.000 0.976 389 Q CA -0.021 55.912 55.803 0.215 0.000 0.881 389 Q CB 0.509 29.346 28.738 0.166 0.000 1.235 389 Q HN 0.468 nan 8.270 nan 0.000 0.419 390 E N 3.205 123.607 120.200 0.336 0.000 2.283 390 E HA 0.376 4.726 4.350 -0.000 0.000 0.271 390 E C -0.272 176.395 176.600 0.112 0.000 1.031 390 E CA -0.348 56.334 56.400 0.471 0.000 0.868 390 E CB 0.756 30.562 29.700 0.177 0.000 1.094 390 E HN 0.631 nan 8.360 nan 0.000 0.401 391 L N -1.294 119.881 121.223 -0.079 0.000 0.602 391 L HA -0.255 4.085 4.340 -0.000 0.000 0.356 391 L C -0.283 176.157 176.870 -0.717 0.000 1.022 391 L CA 0.455 55.023 54.840 -0.453 0.000 1.223 391 L CB -0.656 41.326 42.059 -0.128 0.000 0.024 391 L HN 0.597 nan 8.230 nan 0.000 0.098 392 E N -0.424 119.541 120.200 -0.391 0.000 2.392 392 E HA 0.592 4.942 4.350 -0.000 0.000 0.269 392 E C -0.100 176.554 176.600 0.089 0.000 0.924 392 E CA -0.411 55.935 56.400 -0.089 0.000 0.784 392 E CB 1.563 31.317 29.700 0.090 0.000 1.292 392 E HN 0.601 nan 8.360 nan 0.000 0.447 393 R N 1.136 121.740 120.500 0.174 0.000 1.357 393 R HA 0.293 4.633 4.340 -0.000 0.000 0.099 393 R C -0.283 176.192 176.300 0.291 0.000 1.519 393 R CA 0.292 56.492 56.100 0.166 0.000 1.981 393 R CB -0.830 29.543 30.300 0.122 0.000 1.068 393 R HN 0.830 nan 8.270 nan 0.000 0.638 394 Y N 0.469 120.846 120.300 0.129 0.000 2.572 394 Y HA -0.219 4.331 4.550 -0.000 0.000 0.025 394 Y C -1.770 174.242 175.900 0.187 0.000 1.771 394 Y CA 0.310 58.496 58.100 0.143 0.000 1.373 394 Y CB -1.547 37.015 38.460 0.169 0.000 2.022 394 Y HN 0.653 nan 8.280 nan 0.000 0.264 395 T N 7.306 121.823 114.554 -0.061 0.000 2.943 395 T HA 0.704 5.054 4.350 -0.000 0.000 0.284 395 T C -1.036 173.726 174.700 0.103 0.000 1.015 395 T CA -0.044 62.004 62.100 -0.087 0.000 1.042 395 T CB 1.497 70.362 68.868 -0.004 0.000 1.055 395 T HN 0.659 nan 8.240 nan 0.000 0.500 396 F N 1.917 121.870 119.950 0.005 0.000 2.540 396 F HA 0.553 5.080 4.527 -0.000 0.000 0.317 396 F C -0.913 174.927 175.800 0.068 0.000 1.104 396 F CA -0.914 57.152 58.000 0.109 0.000 0.913 396 F CB 1.498 40.664 39.000 0.277 0.000 1.170 396 F HN 0.332 nan 8.300 nan 0.000 0.450 397 N N 7.153 125.280 118.700 -0.956 0.000 2.448 397 N HA 0.352 5.092 4.740 -0.000 0.000 0.279 397 N C -2.804 172.155 175.510 -0.918 0.000 1.025 397 N CA -1.317 51.343 53.050 -0.649 0.000 0.898 397 N CB 2.296 40.601 38.487 -0.303 0.000 1.303 397 N HN 0.326 nan 8.380 nan 0.000 0.495 398 P HA 0.032 nan 4.420 nan 0.000 0.272 398 P C 0.258 177.509 177.300 -0.081 0.000 1.248 398 P CA -0.030 62.989 63.100 -0.135 0.000 0.799 398 P CB 1.494 33.271 31.700 0.129 0.000 0.997 399 Q N -0.829 118.985 119.800 0.024 0.000 2.297 399 Q HA 0.066 4.406 4.340 -0.000 0.000 0.203 399 Q C 0.529 176.617 176.000 0.147 0.000 0.931 399 Q CA 0.632 56.431 55.803 -0.005 0.000 0.885 399 Q CB -0.328 28.270 28.738 -0.233 0.000 0.991 399 Q HN 0.421 nan 8.270 nan 0.000 0.498 400 S N 2.476 118.300 115.700 0.207 0.000 2.629 400 S HA 0.015 4.485 4.470 -0.000 0.000 0.302 400 S C -0.008 174.693 174.600 0.169 0.000 1.244 400 S CA 0.261 58.601 58.200 0.233 0.000 1.098 400 S CB 0.140 63.444 63.200 0.173 0.000 0.858 400 S HN 0.024 nan 8.310 nan 0.000 0.502 401 K N 2.481 122.997 120.400 0.193 0.000 2.310 401 K HA 0.322 4.642 4.320 -0.000 0.000 0.290 401 K C 0.031 176.685 176.600 0.091 0.000 1.077 401 K CA -0.087 56.286 56.287 0.143 0.000 0.922 401 K CB 0.258 32.873 32.500 0.190 0.000 1.057 401 K HN 0.676 nan 8.250 nan 0.000 0.479 402 C N 0.997 120.332 119.300 0.059 0.000 3.363 402 C HA 0.287 4.747 4.460 -0.000 0.000 0.539 402 C C 1.364 176.354 174.990 -0.001 0.000 1.240 402 C CA -0.222 58.819 59.018 0.038 0.000 2.560 402 C CB -0.571 27.203 27.740 0.057 0.000 3.458 402 C HN 0.919 nan 8.230 nan 0.000 0.472 403 G N 2.028 110.816 108.800 -0.021 0.000 3.255 403 G HA2 0.261 4.221 3.960 -0.000 0.000 0.249 403 G HA3 0.261 4.221 3.960 -0.000 0.000 0.249 403 G C -0.118 174.727 174.900 -0.092 0.000 1.269 403 G CA 0.488 45.544 45.100 -0.075 0.000 0.904 403 G HN 0.428 nan 8.290 nan 0.000 0.627 404 R N -1.404 119.012 120.500 -0.140 0.000 3.018 404 R HA 0.725 5.065 4.340 -0.000 0.000 0.243 404 R C -0.294 175.897 176.300 -0.181 0.000 1.315 404 R CA -0.516 55.492 56.100 -0.153 0.000 1.039 404 R CB 1.405 31.604 30.300 -0.168 0.000 1.315 404 R HN 0.834 nan 8.270 nan 0.000 0.492 405 A N 1.736 124.433 122.820 -0.206 0.000 3.355 405 A HA 0.329 4.649 4.320 -0.000 0.000 0.290 405 A C -1.786 175.692 177.584 -0.176 0.000 0.973 405 A CA -1.137 50.754 52.037 -0.244 0.000 0.933 405 A CB 0.423 19.115 19.000 -0.514 0.000 1.138 405 A HN 0.365 nan 8.150 nan 0.000 0.490 406 P HA -0.268 nan 4.420 nan 0.000 0.222 406 P C 0.295 177.574 177.300 -0.035 0.000 1.155 406 P CA 1.388 64.416 63.100 -0.121 0.000 0.890 406 P CB -0.028 31.556 31.700 -0.193 0.000 0.790 407 K N 0.396 120.808 120.400 0.019 0.000 2.199 407 K HA 0.019 4.339 4.320 -0.000 0.000 0.226 407 K C 1.194 177.854 176.600 0.100 0.000 1.237 407 K CA 0.216 56.562 56.287 0.099 0.000 1.170 407 K CB 0.030 32.629 32.500 0.165 0.000 1.418 407 K HN 0.148 nan 8.250 nan 0.000 0.255 408 Q N -0.541 119.307 119.800 0.080 0.000 4.203 408 Q HA -0.077 4.263 4.340 -0.000 0.000 0.220 408 Q C -0.365 175.783 176.000 0.247 0.000 0.838 408 Q CA 0.342 56.209 55.803 0.108 0.000 0.641 408 Q CB 0.170 28.881 28.738 -0.045 0.000 0.919 408 Q HN 0.535 nan 8.270 nan 0.000 0.533 409 Q N 0.478 120.393 119.800 0.192 0.000 2.624 409 Q HA 0.335 4.675 4.340 -0.000 0.000 0.256 409 Q C 0.251 176.624 176.000 0.621 0.000 1.119 409 Q CA 1.145 57.127 55.803 0.298 0.000 0.995 409 Q CB 0.156 28.992 28.738 0.163 0.000 1.318 409 Q HN 0.289 nan 8.270 nan 0.000 0.534 410 F N -2.749 117.418 119.950 0.362 0.000 2.878 410 F HA 0.451 4.978 4.527 -0.000 0.000 0.322 410 F C -1.576 174.294 175.800 0.116 0.000 1.154 410 F CA -1.282 56.944 58.000 0.377 0.000 0.896 410 F CB 1.252 40.373 39.000 0.203 0.000 1.313 410 F HN 0.354 nan 8.300 nan 0.000 0.451 411 N N 0.963 119.714 118.700 0.086 0.000 2.229 411 N HA 0.458 5.198 4.740 -0.000 0.000 0.298 411 N C -1.973 173.553 175.510 0.027 0.000 1.114 411 N CA -0.327 52.644 53.050 -0.131 0.000 0.776 411 N CB 3.032 41.300 38.487 -0.364 0.000 1.501 411 N HN 0.864 nan 8.380 nan 0.000 0.474 412 Q N 0.773 120.571 119.800 -0.003 0.000 2.433 412 Q HA 0.368 4.708 4.340 -0.000 0.000 0.279 412 Q C -0.666 175.324 176.000 -0.016 0.000 1.105 412 Q CA -0.764 55.060 55.803 0.035 0.000 0.815 412 Q CB 2.354 31.142 28.738 0.083 0.000 1.403 412 Q HN 0.457 nan 8.270 nan 0.000 0.435 413 Q N 0.153 119.949 119.800 -0.007 0.000 2.185 413 Q HA 0.454 4.794 4.340 -0.000 0.000 0.225 413 Q C 0.447 176.434 176.000 -0.021 0.000 0.983 413 Q CA 0.701 56.492 55.803 -0.021 0.000 0.950 413 Q CB 1.300 30.029 28.738 -0.016 0.000 1.176 413 Q HN 0.842 nan 8.270 nan 0.000 0.510 414 A N 1.926 124.731 122.820 -0.024 0.000 4.963 414 A HA -0.240 4.080 4.320 -0.000 0.000 0.470 414 A C -1.359 176.209 177.584 -0.025 0.000 1.461 414 A CA 1.793 53.816 52.037 -0.023 0.000 1.313 414 A CB -2.626 16.364 19.000 -0.017 0.000 1.484 414 A HN 0.723 nan 8.150 nan 0.000 0.547 415 P HA 0.349 nan 4.420 nan 0.000 0.238 415 P C 0.975 178.260 177.300 -0.024 0.000 1.714 415 P CA 0.488 63.574 63.100 -0.024 0.000 0.908 415 P CB -0.070 31.619 31.700 -0.018 0.000 1.893 416 L N -1.040 120.167 121.223 -0.026 0.000 4.318 416 L HA -0.441 3.899 4.340 -0.000 0.000 0.053 416 L C 0.207 177.079 176.870 0.002 0.000 3.708 416 L CA 1.889 56.718 54.840 -0.017 0.000 1.241 416 L CB -0.782 41.255 42.059 -0.037 0.000 3.179 416 L HN 0.412 nan 8.230 nan 0.000 0.854 417 N N 0.293 118.994 118.700 0.002 0.000 2.593 417 N HA -0.115 4.625 4.740 -0.000 0.000 0.269 417 N C -0.975 174.550 175.510 0.025 0.000 1.356 417 N CA 0.560 53.616 53.050 0.011 0.000 0.884 417 N CB -0.475 38.018 38.487 0.009 0.000 0.913 417 N HN 0.387 nan 8.380 nan 0.000 0.497 418 L N 3.142 124.381 121.223 0.026 0.000 2.565 418 L HA 0.291 4.631 4.340 -0.000 0.000 0.275 418 L C 0.796 177.683 176.870 0.028 0.000 1.137 418 L CA 1.039 55.901 54.840 0.037 0.000 0.915 418 L CB -1.213 40.868 42.059 0.036 0.000 1.232 418 L HN 0.648 nan 8.230 nan 0.000 0.473 419 E N 1.831 122.048 120.200 0.028 0.000 7.455 419 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 419 E C -0.487 176.123 176.600 0.016 0.000 0.902 419 E CA -0.245 56.164 56.400 0.016 0.000 1.685 419 E CB -0.088 29.619 29.700 0.012 0.000 0.894 419 E HN 0.740 nan 8.360 nan 0.000 0.268 420 N N 0.923 119.632 118.700 0.015 0.000 2.149 420 N HA 0.061 4.801 4.740 -0.000 0.000 0.215 420 N C 0.089 175.606 175.510 0.011 0.000 1.357 420 N CA 0.636 53.697 53.050 0.018 0.000 0.869 420 N CB 0.308 38.799 38.487 0.007 0.000 1.063 420 N HN 0.278 nan 8.380 nan 0.000 0.439 421 T N 0.305 114.867 114.554 0.013 0.000 3.031 421 T HA 0.112 4.462 4.350 -0.000 0.000 0.305 421 T C 1.050 175.755 174.700 0.008 0.000 0.985 421 T CA -0.653 61.452 62.100 0.008 0.000 1.008 421 T CB 1.406 70.279 68.868 0.008 0.000 1.005 421 T HN 0.424 nan 8.240 nan 0.000 0.444 422 N N 3.216 121.918 118.700 0.003 0.000 2.192 422 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 422 N C 1.462 176.977 175.510 0.008 0.000 1.013 422 N CA 1.600 54.652 53.050 0.003 0.000 0.863 422 N CB 0.032 38.518 38.487 -0.001 0.000 0.990 422 N HN 0.459 nan 8.380 nan 0.000 0.430 423 N N -0.810 117.894 118.700 0.007 0.000 2.216 423 N HA -0.022 4.718 4.740 -0.000 0.000 0.183 423 N C 0.891 176.406 175.510 0.008 0.000 1.017 423 N CA 1.270 54.324 53.050 0.006 0.000 0.861 423 N CB -0.415 38.075 38.487 0.003 0.000 0.986 423 N HN 0.270 nan 8.380 nan 0.000 0.428 424 G N 0.318 109.124 108.800 0.010 0.000 4.178 424 G HA2 0.335 4.295 3.960 -0.000 0.000 0.287 424 G HA3 0.335 4.295 3.960 -0.000 0.000 0.287 424 G C -0.667 174.247 174.900 0.023 0.000 1.293 424 G CA -0.096 45.010 45.100 0.010 0.000 1.393 424 G HN -0.020 nan 8.290 nan 0.000 0.623 425 T N 0.428 115.000 114.554 0.031 0.000 3.933 425 T HA 0.184 4.534 4.350 -0.000 0.000 0.357 425 T C -1.192 173.550 174.700 0.070 0.000 1.077 425 T CA -0.555 61.583 62.100 0.064 0.000 1.082 425 T CB 1.753 70.662 68.868 0.069 0.000 1.158 425 T HN 0.092 nan 8.240 nan 0.000 0.472 426 L N 3.722 124.990 121.223 0.076 0.000 2.292 426 L HA 0.712 5.052 4.340 -0.000 0.000 0.284 426 L C -1.055 175.978 176.870 0.271 0.000 1.065 426 L CA -0.337 54.564 54.840 0.103 0.000 0.806 426 L CB 0.673 42.692 42.059 -0.067 0.000 1.175 426 L HN 0.542 nan 8.230 nan 0.000 0.431 427 L N 6.533 127.914 121.223 0.263 0.000 2.319 427 L HA 0.597 4.937 4.340 -0.000 0.000 0.267 427 L C -1.607 175.382 176.870 0.199 0.000 1.011 427 L CA -1.286 53.703 54.840 0.249 0.000 0.818 427 L CB 1.574 43.677 42.059 0.073 0.000 1.316 427 L HN 0.452 nan 8.230 nan 0.000 0.432 428 P HA -0.072 nan 4.420 nan 0.000 0.242 428 P C 0.060 177.215 177.300 -0.241 0.000 1.198 428 P CA 0.719 63.789 63.100 -0.050 0.000 0.756 428 P CB 0.194 31.912 31.700 0.029 0.000 0.911 429 S N -2.821 112.661 115.700 -0.363 0.000 3.021 429 S HA 0.231 4.701 4.470 -0.000 0.000 0.252 429 S C -0.137 174.165 174.600 -0.497 0.000 0.996 429 S CA -0.721 57.085 58.200 -0.658 0.000 1.084 429 S CB -0.146 62.899 63.200 -0.257 0.000 1.021 429 S HN -0.141 nan 8.310 nan 0.000 0.566 430 D N 3.506 123.705 120.400 -0.336 0.000 2.177 430 D HA 0.417 5.057 4.640 -0.000 0.000 0.247 430 D C -2.906 173.396 176.300 0.003 0.000 1.063 430 D CA -1.775 52.171 54.000 -0.090 0.000 0.867 430 D CB 1.612 42.439 40.800 0.045 0.000 1.168 430 D HN 0.096 nan 8.370 nan 0.000 0.445 431 P HA 0.141 nan 4.420 nan 0.000 0.275 431 P C -0.357 176.993 177.300 0.084 0.000 1.276 431 P CA -0.221 62.930 63.100 0.085 0.000 0.782 431 P CB 0.503 32.227 31.700 0.041 0.000 0.851 432 I N 2.569 123.200 120.570 0.102 0.000 2.428 432 I HA 0.273 4.443 4.170 -0.000 0.000 0.296 432 I C 1.612 177.752 176.117 0.038 0.000 0.985 432 I CA -0.310 61.038 61.300 0.080 0.000 1.260 432 I CB 0.249 38.308 38.000 0.099 0.000 1.389 432 I HN 0.641 nan 8.210 nan 0.000 0.484 433 G N 4.533 113.350 108.800 0.029 0.000 2.337 433 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.290 433 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.290 433 G C 1.115 176.011 174.900 -0.006 0.000 1.003 433 G CA 1.079 46.184 45.100 0.009 0.000 0.825 433 G HN 1.626 nan 8.290 nan 0.000 0.509 434 G N -1.579 107.221 108.800 0.000 0.000 2.253 434 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.251 434 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.251 434 G C 0.537 175.421 174.900 -0.026 0.000 0.998 434 G CA 0.923 46.016 45.100 -0.013 0.000 0.621 434 G HN 0.956 nan 8.290 nan 0.000 0.524 435 K N 1.715 122.096 120.400 -0.031 0.000 2.312 435 K HA 0.447 4.767 4.320 -0.000 0.000 0.287 435 K C 1.524 178.118 176.600 -0.010 0.000 1.062 435 K CA 0.446 56.702 56.287 -0.052 0.000 0.934 435 K CB 1.332 33.785 32.500 -0.079 0.000 1.027 435 K HN 0.524 nan 8.250 nan 0.000 0.478 436 S N 1.187 116.880 115.700 -0.011 0.000 2.595 436 S HA -0.084 4.386 4.470 -0.000 0.000 0.235 436 S C 0.921 175.573 174.600 0.086 0.000 0.974 436 S CA 0.815 59.034 58.200 0.032 0.000 0.942 436 S CB -0.115 63.091 63.200 0.010 0.000 0.766 436 S HN 0.587 nan 8.310 nan 0.000 0.536 437 N N -0.425 118.294 118.700 0.031 0.000 2.118 437 N HA 0.260 5.000 4.740 -0.000 0.000 0.226 437 N C -0.779 174.534 175.510 -0.327 0.000 1.305 437 N CA -0.080 52.947 53.050 -0.038 0.000 0.890 437 N CB 0.439 38.879 38.487 -0.080 0.000 1.118 437 N HN 0.228 nan 8.380 nan 0.000 0.511 438 M N 1.845 121.354 119.600 -0.152 0.000 2.063 438 M HA 0.263 4.743 4.480 -0.000 0.000 0.348 438 M C -0.419 175.877 176.300 -0.007 0.000 1.180 438 M CA -0.218 54.965 55.300 -0.197 0.000 1.059 438 M CB -0.133 32.401 32.600 -0.110 0.000 1.544 438 M HN 0.136 nan 8.290 nan 0.000 0.447 439 H N 1.569 120.598 119.070 -0.068 0.000 2.570 439 H HA 0.266 4.822 4.556 -0.000 0.000 0.342 439 H C 0.902 176.222 175.328 -0.013 0.000 1.245 439 H CA -0.980 55.045 56.048 -0.038 0.000 1.318 439 H CB 0.980 30.686 29.762 -0.092 0.000 1.694 439 H HN 0.618 nan 8.280 nan 0.000 0.592 440 F N 0.267 120.326 119.950 0.182 0.000 2.192 440 F HA -0.229 4.298 4.527 -0.000 0.000 0.301 440 F C 1.619 177.501 175.800 0.136 0.000 1.079 440 F CA 1.217 59.291 58.000 0.122 0.000 1.303 440 F CB -0.832 38.230 39.000 0.102 0.000 1.024 440 F HN 0.338 nan 8.300 nan 0.000 0.494 441 M N 1.353 120.711 119.600 -0.403 0.000 2.202 441 M HA -0.185 4.295 4.480 -0.000 0.000 0.262 441 M C 1.640 178.103 176.300 0.272 0.000 1.063 441 M CA 2.037 57.301 55.300 -0.060 0.000 1.097 441 M CB -1.290 31.264 32.600 -0.076 0.000 1.382 441 M HN 0.265 nan 8.290 nan 0.000 0.413 442 N N -1.040 117.662 118.700 0.004 0.000 2.348 442 N HA -0.113 4.627 4.740 -0.000 0.000 0.185 442 N C 1.119 176.636 175.510 0.011 0.000 1.019 442 N CA 1.351 54.259 53.050 -0.236 0.000 0.880 442 N CB -0.035 38.239 38.487 -0.355 0.000 0.965 442 N HN 0.309 nan 8.380 nan 0.000 0.437 443 T N -0.091 114.529 114.554 0.111 0.000 3.010 443 T HA 0.167 4.517 4.350 -0.000 0.000 0.257 443 T C 0.127 174.935 174.700 0.181 0.000 1.020 443 T CA -0.324 61.854 62.100 0.130 0.000 0.938 443 T CB 0.387 69.323 68.868 0.113 0.000 1.049 443 T HN 0.080 nan 8.240 nan 0.000 0.522 444 L N 3.373 124.747 121.223 0.252 0.000 2.360 444 L HA 0.418 4.758 4.340 -0.000 0.000 0.276 444 L C -0.552 176.442 176.870 0.206 0.000 1.121 444 L CA 0.201 55.197 54.840 0.261 0.000 0.845 444 L CB 0.461 42.766 42.059 0.410 0.000 1.143 444 L HN 0.078 nan 8.230 nan 0.000 0.452 445 N N 2.894 121.702 118.700 0.180 0.000 2.483 445 N HA 0.194 4.934 4.740 -0.000 0.000 0.267 445 N C 0.325 175.956 175.510 0.202 0.000 0.998 445 N CA -0.243 52.925 53.050 0.197 0.000 0.918 445 N CB 1.533 40.137 38.487 0.194 0.000 1.215 445 N HN 0.656 nan 8.380 nan 0.000 0.500 446 T N 0.476 115.175 114.554 0.241 0.000 3.145 446 T HA 0.071 4.421 4.350 -0.000 0.000 0.255 446 T C 0.665 175.545 174.700 0.299 0.000 1.039 446 T CA -0.226 62.007 62.100 0.221 0.000 0.928 446 T CB -0.492 68.482 68.868 0.177 0.000 1.029 446 T HN 0.351 nan 8.240 nan 0.000 0.554 447 Y N 2.533 122.944 120.300 0.185 0.000 2.702 447 Y HA 0.465 5.015 4.550 -0.000 0.000 0.336 447 Y C 0.617 176.517 175.900 -0.001 0.000 1.235 447 Y CA 0.061 58.183 58.100 0.036 0.000 1.492 447 Y CB 0.023 38.459 38.460 -0.039 0.000 1.308 447 Y HN 0.441 nan 8.280 nan 0.000 0.589 448 G N 4.989 113.680 108.800 -0.181 0.000 2.576 448 G HA2 0.338 4.298 3.960 -0.000 0.000 0.290 448 G HA3 0.338 4.298 3.960 -0.000 0.000 0.290 448 G C -2.649 172.074 174.900 -0.295 0.000 1.442 448 G CA -1.105 43.828 45.100 -0.280 0.000 0.792 448 G HN 0.273 nan 8.290 nan 0.000 0.491 449 P HA -0.008 nan 4.420 nan 0.000 0.221 449 P C 1.730 178.985 177.300 -0.075 0.000 1.145 449 P CA 0.698 63.709 63.100 -0.149 0.000 0.795 449 P CB 0.229 31.865 31.700 -0.107 0.000 0.775 450 L N -2.380 118.810 121.223 -0.054 0.000 2.492 450 L HA 0.039 4.379 4.340 -0.000 0.000 0.223 450 L C 0.637 177.511 176.870 0.007 0.000 1.132 450 L CA 0.342 55.171 54.840 -0.019 0.000 0.850 450 L CB -0.841 41.209 42.059 -0.015 0.000 0.966 450 L HN -0.127 nan 8.230 nan 0.000 0.454 451 T N 1.420 115.994 114.554 0.033 0.000 2.888 451 T HA 0.337 4.687 4.350 -0.000 0.000 0.301 451 T C 0.213 174.954 174.700 0.068 0.000 1.001 451 T CA -0.169 61.984 62.100 0.089 0.000 1.147 451 T CB 1.018 70.007 68.868 0.202 0.000 0.931 451 T HN 0.245 nan 8.240 nan 0.000 0.541 452 A N 3.782 126.632 122.820 0.052 0.000 2.304 452 A HA 0.725 5.045 4.320 -0.000 0.000 0.314 452 A C -0.730 176.882 177.584 0.048 0.000 1.187 452 A CA -0.680 51.379 52.037 0.036 0.000 0.810 452 A CB 0.692 19.699 19.000 0.012 0.000 1.183 452 A HN 0.667 nan 8.150 nan 0.000 0.487 453 L N 2.082 123.329 121.223 0.040 0.000 2.279 453 L HA 0.768 5.108 4.340 -0.000 0.000 0.262 453 L C -0.781 176.123 176.870 0.056 0.000 1.019 453 L CA -0.605 54.266 54.840 0.051 0.000 0.823 453 L CB 2.123 44.178 42.059 -0.007 0.000 1.358 453 L HN 0.654 nan 8.230 nan 0.000 0.432 454 N N 1.057 119.802 118.700 0.075 0.000 2.269 454 N HA 0.407 5.147 4.740 -0.000 0.000 0.304 454 N C -1.112 174.444 175.510 0.078 0.000 1.072 454 N CA -0.520 52.575 53.050 0.073 0.000 0.802 454 N CB 1.197 39.734 38.487 0.083 0.000 1.348 454 N HN 0.622 nan 8.380 nan 0.000 0.484 455 N N 0.103 118.844 118.700 0.068 0.000 2.444 455 N HA 0.124 4.864 4.740 -0.000 0.000 0.255 455 N C -0.310 175.251 175.510 0.085 0.000 1.255 455 N CA 0.350 53.439 53.050 0.065 0.000 0.933 455 N CB 0.564 39.073 38.487 0.037 0.000 1.143 455 N HN 0.439 nan 8.380 nan 0.000 0.453 456 T N 1.028 115.638 114.554 0.094 0.000 2.636 456 T HA 0.248 4.598 4.350 -0.000 0.000 0.348 456 T C 0.063 174.842 174.700 0.131 0.000 1.076 456 T CA 0.087 62.264 62.100 0.128 0.000 1.064 456 T CB 0.164 69.113 68.868 0.134 0.000 0.995 456 T HN 0.613 nan 8.240 nan 0.000 0.547 457 A N 1.392 124.326 122.820 0.189 0.000 2.337 457 A HA 0.719 5.039 4.320 -0.000 0.000 0.331 457 A C -2.715 174.942 177.584 0.122 0.000 1.137 457 A CA -2.047 50.101 52.037 0.186 0.000 0.807 457 A CB 0.695 19.891 19.000 0.328 0.000 1.250 457 A HN 0.523 nan 8.150 nan 0.000 0.468 458 P HA 0.342 nan 4.420 nan 0.000 0.276 458 P C -0.879 176.264 177.300 -0.261 0.000 1.235 458 P CA -0.062 63.027 63.100 -0.018 0.000 0.772 458 P CB 1.020 32.627 31.700 -0.156 0.000 0.871 459 V N 4.323 124.010 119.914 -0.378 0.000 2.266 459 V HA 0.267 4.387 4.120 -0.000 0.000 0.271 459 V C -0.124 175.514 176.094 -0.760 0.000 1.032 459 V CA -0.699 61.182 62.300 -0.699 0.000 0.806 459 V CB -0.278 31.076 31.823 -0.783 0.000 1.052 459 V HN 0.433 nan 8.190 nan 0.000 0.449 460 F N 8.723 127.922 119.950 -1.251 0.000 2.495 460 F HA 0.443 4.970 4.527 -0.000 0.000 0.365 460 F C -1.399 173.898 175.800 -0.839 0.000 1.090 460 F CA -1.271 55.907 58.000 -1.369 0.000 1.235 460 F CB 1.628 39.074 39.000 -2.591 0.000 1.119 460 F HN 0.323 nan 8.300 nan 0.000 0.562 461 P HA 0.019 nan 4.420 nan 0.000 0.269 461 P C 0.121 177.019 177.300 -0.669 0.000 1.205 461 P CA 0.403 62.654 63.100 -1.414 0.000 0.885 461 P CB 0.365 30.854 31.700 -2.017 0.000 1.246 462 N N 0.919 119.403 118.700 -0.359 0.000 2.585 462 N HA -0.055 4.685 4.740 -0.000 0.000 0.188 462 N C 1.311 176.863 175.510 0.070 0.000 1.102 462 N CA 0.695 53.767 53.050 0.038 0.000 0.920 462 N CB -0.361 38.151 38.487 0.042 0.000 0.963 462 N HN 0.180 nan 8.380 nan 0.000 0.447 463 G N 0.808 109.595 108.800 -0.021 0.000 2.491 463 G HA2 0.030 3.990 3.960 -0.000 0.000 0.242 463 G HA3 0.030 3.990 3.960 -0.000 0.000 0.242 463 G C -0.126 174.927 174.900 0.255 0.000 1.266 463 G CA -0.291 44.939 45.100 0.217 0.000 0.844 463 G HN 0.173 nan 8.290 nan 0.000 0.571 464 Q N 0.743 120.652 119.800 0.181 0.000 2.306 464 Q HA 0.321 4.661 4.340 -0.000 0.000 0.241 464 Q C 0.626 176.600 176.000 -0.045 0.000 0.948 464 Q CA -0.550 55.249 55.803 -0.006 0.000 0.886 464 Q CB 0.850 29.598 28.738 0.017 0.000 1.227 464 Q HN 0.550 nan 8.270 nan 0.000 0.457 465 I N 1.214 121.564 120.570 -0.367 0.000 2.834 465 I HA 0.087 4.257 4.170 -0.000 0.000 0.239 465 I C 0.295 176.465 176.117 0.089 0.000 1.073 465 I CA 0.084 61.181 61.300 -0.339 0.000 1.459 465 I CB -0.081 37.444 38.000 -0.792 0.000 1.288 465 I HN 0.659 nan 8.210 nan 0.000 0.455 466 W N 0.769 122.112 121.300 0.072 0.000 2.671 466 W HA 0.722 5.382 4.660 -0.000 0.000 0.360 466 W C -1.252 175.391 176.519 0.208 0.000 1.128 466 W CA -0.879 56.558 57.345 0.153 0.000 1.184 466 W CB 0.352 29.834 29.460 0.036 0.000 1.415 466 W HN -0.167 nan 8.180 nan 0.000 0.604 467 D N 0.457 121.185 120.400 0.546 0.000 2.736 467 D HA 0.196 4.836 4.640 -0.000 0.000 0.223 467 D C -1.337 175.148 176.300 0.308 0.000 1.231 467 D CA -0.849 53.430 54.000 0.464 0.000 0.818 467 D CB 2.096 43.142 40.800 0.409 0.000 1.587 467 D HN 0.497 nan 8.370 nan 0.000 0.463 468 K N 1.509 121.983 120.400 0.123 0.000 2.319 468 K HA 0.182 4.502 4.320 -0.000 0.000 0.265 468 K C -0.306 176.376 176.600 0.138 0.000 1.000 468 K CA -0.259 55.955 56.287 -0.122 0.000 0.943 468 K CB 0.738 32.903 32.500 -0.559 0.000 0.950 468 K HN 0.334 nan 8.250 nan 0.000 0.485 469 E N 3.576 123.830 120.200 0.090 0.000 2.249 469 E HA 0.138 4.488 4.350 -0.000 0.000 0.280 469 E C -0.850 175.844 176.600 0.156 0.000 1.016 469 E CA -0.312 56.195 56.400 0.179 0.000 0.830 469 E CB 0.713 30.464 29.700 0.084 0.000 1.081 469 E HN 0.499 nan 8.360 nan 0.000 0.395 470 L N 4.101 125.443 121.223 0.199 0.000 2.562 470 L HA 0.031 4.371 4.340 -0.000 0.000 0.271 470 L C 0.338 177.254 176.870 0.077 0.000 1.167 470 L CA 0.162 55.061 54.840 0.099 0.000 0.917 470 L CB 0.113 42.205 42.059 0.054 0.000 1.187 470 L HN 0.620 nan 8.230 nan 0.000 0.482 471 D N 2.695 123.129 120.400 0.056 0.000 2.745 471 D HA 0.004 4.644 4.640 -0.000 0.000 0.229 471 D C 0.365 176.690 176.300 0.042 0.000 1.088 471 D CA -0.020 54.007 54.000 0.045 0.000 1.054 471 D CB 0.085 40.907 40.800 0.037 0.000 1.132 471 D HN 0.530 nan 8.370 nan 0.000 0.464 472 T N -2.459 112.122 114.554 0.045 0.000 2.925 472 T HA 0.229 4.579 4.350 -0.000 0.000 0.285 472 T C 1.150 175.873 174.700 0.039 0.000 1.021 472 T CA -0.934 61.190 62.100 0.039 0.000 1.042 472 T CB 1.744 70.635 68.868 0.038 0.000 1.037 472 T HN -0.104 nan 8.240 nan 0.000 0.481 473 D N 0.878 121.299 120.400 0.034 0.000 2.133 473 D HA -0.073 4.567 4.640 -0.000 0.000 0.192 473 D C 0.600 176.921 176.300 0.035 0.000 1.001 473 D CA 1.424 55.443 54.000 0.032 0.000 0.844 473 D CB 0.006 40.823 40.800 0.028 0.000 0.944 473 D HN 0.491 nan 8.370 nan 0.000 0.447 474 L N 0.985 122.231 121.223 0.039 0.000 2.296 474 L HA 0.308 4.648 4.340 -0.000 0.000 0.286 474 L C 0.314 177.217 176.870 0.055 0.000 1.023 474 L CA -0.601 54.265 54.840 0.044 0.000 0.812 474 L CB 1.948 44.033 42.059 0.043 0.000 1.223 474 L HN -0.306 nan 8.230 nan 0.000 0.421 475 K N 2.808 123.245 120.400 0.061 0.000 2.106 475 K HA 0.577 4.897 4.320 -0.000 0.000 0.246 475 K C -2.314 174.341 176.600 0.092 0.000 0.987 475 K CA -1.698 54.638 56.287 0.081 0.000 0.904 475 K CB 0.598 33.147 32.500 0.081 0.000 1.071 475 K HN 0.288 nan 8.250 nan 0.000 0.453 476 P HA 0.207 nan 4.420 nan 0.000 0.277 476 P C -0.258 177.115 177.300 0.121 0.000 1.240 476 P CA -0.480 62.699 63.100 0.132 0.000 0.798 476 P CB 0.676 32.489 31.700 0.189 0.000 0.979 477 R N 1.107 121.665 120.500 0.097 0.000 2.307 477 R HA 0.191 4.531 4.340 -0.000 0.000 0.199 477 R C 0.713 177.056 176.300 0.071 0.000 1.000 477 R CA 0.498 56.642 56.100 0.073 0.000 1.023 477 R CB -0.657 29.678 30.300 0.058 0.000 0.908 477 R HN 0.496 nan 8.270 nan 0.000 0.473 478 L N -5.049 116.243 121.223 0.115 0.000 3.172 478 L HA 0.374 4.714 4.340 -0.000 0.000 0.278 478 L C -1.579 175.468 176.870 0.296 0.000 0.979 478 L CA -1.204 53.703 54.840 0.112 0.000 1.017 478 L CB 1.371 43.479 42.059 0.081 0.000 1.540 478 L HN -0.120 nan 8.230 nan 0.000 0.392 479 H N -0.944 118.165 119.070 0.066 0.000 2.737 479 H HA 0.615 5.171 4.556 -0.000 0.000 0.358 479 H C 0.360 175.727 175.328 0.065 0.000 1.187 479 H CA -0.625 55.462 56.048 0.065 0.000 1.221 479 H CB 2.598 32.411 29.762 0.085 0.000 1.799 479 H HN 0.584 nan 8.280 nan 0.000 0.568 480 V N -2.445 117.572 119.914 0.171 0.000 3.125 480 V HA -0.060 4.060 4.120 -0.000 0.000 0.249 480 V C 1.712 177.879 176.094 0.122 0.000 1.113 480 V CA 0.958 63.328 62.300 0.117 0.000 1.106 480 V CB -0.366 31.493 31.823 0.060 0.000 0.768 480 V HN 0.741 nan 8.190 nan 0.000 0.468 481 T N 1.863 116.492 114.554 0.125 0.000 2.570 481 T HA 0.046 4.396 4.350 -0.000 0.000 0.266 481 T C 0.885 175.681 174.700 0.160 0.000 1.071 481 T CA 2.257 64.430 62.100 0.123 0.000 1.172 481 T CB -0.409 68.546 68.868 0.145 0.000 0.864 481 T HN 1.024 nan 8.240 nan 0.000 0.421 482 A N 0.645 123.582 122.820 0.195 0.000 2.532 482 A HA 0.649 4.969 4.320 -0.000 0.000 0.290 482 A C -2.105 175.569 177.584 0.151 0.000 1.143 482 A CA -1.484 50.667 52.037 0.190 0.000 0.728 482 A CB 1.116 20.227 19.000 0.185 0.000 1.317 482 A HN 0.110 nan 8.150 nan 0.000 0.414 483 P HA 0.147 nan 4.420 nan 0.000 0.230 483 P C -0.337 176.827 177.300 -0.226 0.000 1.168 483 P CA 0.703 63.743 63.100 -0.100 0.000 0.793 483 P CB 0.152 31.734 31.700 -0.197 0.000 0.851 484 F N 0.405 120.454 119.950 0.164 0.000 2.427 484 F HA 0.319 4.846 4.527 -0.000 0.000 0.346 484 F C 0.278 176.137 175.800 0.098 0.000 1.120 484 F CA -1.138 56.934 58.000 0.120 0.000 1.033 484 F CB 1.716 40.787 39.000 0.119 0.000 1.126 484 F HN -0.390 nan 8.300 nan 0.000 0.462 485 V N 2.709 122.754 119.914 0.218 0.000 2.444 485 V HA 0.229 4.349 4.120 -0.000 0.000 0.294 485 V C -0.520 175.642 176.094 0.114 0.000 1.022 485 V CA -1.092 61.245 62.300 0.061 0.000 0.850 485 V CB 1.443 33.147 31.823 -0.198 0.000 0.992 485 V HN 0.839 nan 8.190 nan 0.000 0.426 486 C N 5.318 124.703 119.300 0.141 0.000 2.619 486 C HA 0.119 4.579 4.460 -0.000 0.000 0.389 486 C C 2.062 177.098 174.990 0.076 0.000 1.314 486 C CA -0.522 58.577 59.018 0.136 0.000 1.678 486 C CB -1.171 26.665 27.740 0.160 0.000 2.398 486 C HN 0.955 nan 8.230 nan 0.000 0.582 487 K N 2.446 122.886 120.400 0.066 0.000 2.063 487 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 487 K C 1.602 178.223 176.600 0.035 0.000 1.048 487 K CA 1.653 57.966 56.287 0.043 0.000 0.928 487 K CB 0.023 32.544 32.500 0.037 0.000 0.713 487 K HN 0.843 nan 8.250 nan 0.000 0.442 488 N N 0.604 119.328 118.700 0.040 0.000 2.605 488 N HA -0.102 4.638 4.740 -0.000 0.000 0.277 488 N C -0.202 175.324 175.510 0.027 0.000 1.355 488 N CA -0.110 52.959 53.050 0.032 0.000 0.849 488 N CB -0.553 37.955 38.487 0.035 0.000 1.111 488 N HN -0.016 nan 8.380 nan 0.000 0.441 489 N N 0.490 119.207 118.700 0.029 0.000 2.438 489 N HA 0.333 5.073 4.740 -0.000 0.000 0.282 489 N C -2.599 172.878 175.510 -0.054 0.000 1.037 489 N CA -1.359 51.674 53.050 -0.027 0.000 0.942 489 N CB 1.388 39.846 38.487 -0.048 0.000 1.136 489 N HN 0.212 nan 8.380 nan 0.000 0.481 490 P HA 0.162 nan 4.420 nan 0.000 0.272 490 P C -2.470 174.495 177.300 -0.560 0.000 1.230 490 P CA -0.799 62.156 63.100 -0.241 0.000 0.788 490 P CB 0.316 31.831 31.700 -0.309 0.000 0.949 491 P HA -0.023 nan 4.420 nan 0.000 0.270 491 P C 0.137 177.235 177.300 -0.336 0.000 1.227 491 P CA 0.297 62.769 63.100 -1.047 0.000 0.788 491 P CB 0.360 31.630 31.700 -0.717 0.000 0.926 492 G N 1.162 109.819 108.800 -0.238 0.000 2.503 492 G HA2 0.156 4.116 3.960 -0.000 0.000 0.257 492 G HA3 0.156 4.116 3.960 -0.000 0.000 0.257 492 G C -0.148 174.758 174.900 0.011 0.000 1.214 492 G CA -0.471 44.588 45.100 -0.068 0.000 0.839 492 G HN 0.450 nan 8.290 nan 0.000 0.559 493 Q N -0.364 119.401 119.800 -0.058 0.000 2.314 493 Q HA 0.189 4.529 4.340 -0.000 0.000 0.258 493 Q C -0.745 174.935 176.000 -0.535 0.000 0.954 493 Q CA -0.540 55.057 55.803 -0.344 0.000 0.890 493 Q CB 2.217 30.618 28.738 -0.561 0.000 1.210 493 Q HN 0.319 nan 8.270 nan 0.000 0.410 494 L N 3.777 124.692 121.223 -0.513 0.000 2.265 494 L HA 0.420 4.760 4.340 -0.000 0.000 0.289 494 L C -1.448 175.107 176.870 -0.525 0.000 1.033 494 L CA -0.020 54.626 54.840 -0.323 0.000 0.814 494 L CB 0.197 42.258 42.059 0.004 0.000 1.203 494 L HN 0.351 nan 8.230 nan 0.000 0.423 495 F N 4.276 124.206 119.950 -0.033 0.000 2.458 495 F HA 0.750 5.277 4.527 -0.000 0.000 0.330 495 F C 0.106 176.022 175.800 0.194 0.000 1.082 495 F CA -0.690 57.328 58.000 0.030 0.000 0.995 495 F CB 1.955 40.862 39.000 -0.156 0.000 1.170 495 F HN 0.140 nan 8.300 nan 0.000 0.478 496 V N 2.153 122.409 119.914 0.569 0.000 2.971 496 V HA 0.629 4.749 4.120 -0.000 0.000 0.309 496 V C -1.039 175.215 176.094 0.266 0.000 1.130 496 V CA -1.048 61.474 62.300 0.371 0.000 0.964 496 V CB 2.567 34.500 31.823 0.184 0.000 1.029 496 V HN 0.749 nan 8.190 nan 0.000 0.427 497 K N 3.800 124.141 120.400 -0.100 0.000 2.583 497 K HA 0.459 4.779 4.320 -0.000 0.000 0.260 497 K C -1.852 174.541 176.600 -0.345 0.000 0.931 497 K CA -0.681 55.343 56.287 -0.438 0.000 0.849 497 K CB 1.763 33.452 32.500 -1.353 0.000 1.347 497 K HN 0.617 nan 8.250 nan 0.000 0.425 498 I N 3.399 123.826 120.570 -0.239 0.000 2.471 498 I HA 0.134 4.304 4.170 -0.000 0.000 0.286 498 I C 0.762 176.765 176.117 -0.189 0.000 1.079 498 I CA -0.346 60.853 61.300 -0.167 0.000 1.398 498 I CB 1.259 39.202 38.000 -0.095 0.000 1.403 498 I HN 0.738 nan 8.210 nan 0.000 0.530 499 A N 10.146 132.878 122.820 -0.146 0.000 2.566 499 A HA 0.166 4.486 4.320 -0.000 0.000 0.245 499 A C -1.951 175.575 177.584 -0.096 0.000 1.056 499 A CA -0.878 51.089 52.037 -0.117 0.000 0.757 499 A CB -0.764 18.193 19.000 -0.071 0.000 0.979 499 A HN 0.510 nan 8.150 nan 0.000 0.508 500 P HA -0.043 nan 4.420 nan 0.000 0.260 500 P C -0.547 176.724 177.300 -0.049 0.000 1.185 500 P CA 0.054 63.110 63.100 -0.073 0.000 0.763 500 P CB 0.370 32.029 31.700 -0.068 0.000 0.776 501 N N 4.082 122.757 118.700 -0.041 0.000 3.322 501 N HA 0.149 4.889 4.740 -0.000 0.000 0.290 501 N C 0.273 175.773 175.510 -0.017 0.000 1.297 501 N CA -0.312 52.721 53.050 -0.028 0.000 1.167 501 N CB -0.746 37.724 38.487 -0.028 0.000 1.434 501 N HN 0.362 nan 8.380 nan 0.000 0.526 502 L N -0.040 121.175 121.223 -0.013 0.000 2.535 502 L HA -0.098 4.242 4.340 -0.000 0.000 0.301 502 L C 1.699 178.575 176.870 0.010 0.000 1.275 502 L CA 0.357 55.197 54.840 0.001 0.000 0.843 502 L CB -0.163 41.898 42.059 0.004 0.000 1.094 502 L HN 0.373 nan 8.230 nan 0.000 0.532 503 T N -2.829 111.740 114.554 0.025 0.000 2.861 503 T HA 0.194 4.544 4.350 -0.000 0.000 0.265 503 T C 0.543 175.266 174.700 0.039 0.000 1.104 503 T CA -0.026 62.089 62.100 0.025 0.000 0.987 503 T CB 0.657 69.540 68.868 0.025 0.000 2.051 503 T HN 0.739 nan 8.240 nan 0.000 0.570 504 D N -0.902 119.520 120.400 0.036 0.000 2.398 504 D HA 0.042 4.682 4.640 -0.000 0.000 0.210 504 D C -0.134 176.200 176.300 0.056 0.000 1.094 504 D CA -0.113 53.911 54.000 0.040 0.000 0.839 504 D CB -0.170 40.641 40.800 0.018 0.000 0.963 504 D HN 0.400 nan 8.370 nan 0.000 0.506 505 D N 2.332 122.772 120.400 0.067 0.000 2.994 505 D HA 0.091 4.731 4.640 -0.000 0.000 0.240 505 D C 1.042 177.521 176.300 0.298 0.000 1.195 505 D CA -0.260 53.779 54.000 0.066 0.000 0.957 505 D CB -0.633 40.187 40.800 0.034 0.000 1.105 505 D HN 0.356 nan 8.370 nan 0.000 0.477 506 F N -0.379 119.568 119.950 -0.005 0.000 1.389 506 F HA -0.417 4.110 4.527 -0.000 0.000 0.067 506 F C -0.489 175.309 175.800 -0.002 0.000 0.136 506 F CA 0.385 58.384 58.000 -0.003 0.000 0.287 506 F CB -0.184 38.816 39.000 -0.001 0.000 0.713 506 F HN 0.111 nan 8.300 nan 0.000 0.665 507 N N 0.103 118.461 118.700 -0.570 0.000 3.308 507 N HA 0.556 5.296 4.740 -0.000 0.000 0.276 507 N C -0.653 174.206 175.510 -1.085 0.000 1.533 507 N CA 0.153 52.804 53.050 -0.666 0.000 0.878 507 N CB 1.294 39.636 38.487 -0.241 0.000 1.566 507 N HN 1.647 nan 8.380 nan 0.000 0.546 508 A N 0.172 122.647 122.820 -0.575 0.000 6.641 508 A HA -0.231 4.089 4.320 -0.000 0.000 0.244 508 A C -0.164 177.114 177.584 -0.510 0.000 2.164 508 A CA 1.499 53.291 52.037 -0.408 0.000 0.704 508 A CB -1.633 17.191 19.000 -0.293 0.000 0.982 508 A HN 1.020 nan 8.150 nan 0.000 0.376 509 D N -1.817 118.459 120.400 -0.208 0.000 2.931 509 D HA -0.033 4.607 4.640 -0.000 0.000 0.228 509 D C 0.254 176.605 176.300 0.084 0.000 1.180 509 D CA 2.659 56.641 54.000 -0.031 0.000 0.784 509 D CB -1.337 39.517 40.800 0.090 0.000 1.093 509 D HN 2.161 nan 8.370 nan 0.000 0.421 510 S N -3.681 112.021 115.700 0.003 0.000 2.578 510 S HA 0.636 5.106 4.470 -0.000 0.000 0.272 510 S C -2.348 172.274 174.600 0.037 0.000 1.145 510 S CA -1.316 56.942 58.200 0.097 0.000 0.835 510 S CB 1.650 65.015 63.200 0.276 0.000 1.104 510 S HN -0.193 nan 8.310 nan 0.000 0.458 511 P HA 0.103 nan 4.420 nan 0.000 0.207 511 P C -0.367 176.958 177.300 0.041 0.000 1.072 511 P CA 0.318 63.444 63.100 0.044 0.000 0.798 511 P CB 0.016 31.746 31.700 0.051 0.000 0.570 512 Q N 0.482 120.313 119.800 0.052 0.000 2.294 512 Q HA 0.123 4.463 4.340 -0.000 0.000 0.257 512 Q C -0.650 175.374 176.000 0.039 0.000 0.955 512 Q CA -0.388 55.442 55.803 0.045 0.000 0.936 512 Q CB 0.720 29.488 28.738 0.050 0.000 1.188 512 Q HN 0.210 nan 8.270 nan 0.000 0.420 513 Q N 4.105 123.919 119.800 0.023 0.000 2.327 513 Q HA 0.409 4.749 4.340 -0.000 0.000 0.254 513 Q C -2.302 173.712 176.000 0.024 0.000 0.952 513 Q CA -1.469 54.354 55.803 0.033 0.000 0.884 513 Q CB 0.079 28.813 28.738 -0.006 0.000 1.224 513 Q HN 0.301 nan 8.270 nan 0.000 0.422 514 P HA 0.388 nan 4.420 nan 0.000 0.290 514 P C -1.074 176.235 177.300 0.015 0.000 1.275 514 P CA -0.659 62.453 63.100 0.020 0.000 0.841 514 P CB 1.237 32.955 31.700 0.030 0.000 1.042 515 R N 1.964 122.461 120.500 -0.005 0.000 2.764 515 R HA 0.496 4.836 4.340 -0.000 0.000 0.270 515 R C -0.319 175.975 176.300 -0.012 0.000 1.014 515 R CA -1.157 54.939 56.100 -0.007 0.000 0.904 515 R CB 0.282 30.572 30.300 -0.018 0.000 1.236 515 R HN 0.320 nan 8.270 nan 0.000 0.466 516 I N 2.044 122.608 120.570 -0.010 0.000 2.775 516 I HA -0.023 4.147 4.170 -0.000 0.000 0.290 516 I C 0.711 176.823 176.117 -0.008 0.000 1.203 516 I CA 0.122 61.416 61.300 -0.010 0.000 1.433 516 I CB 0.265 38.258 38.000 -0.011 0.000 1.354 516 I HN 0.373 nan 8.210 nan 0.000 0.579 517 I N 6.229 126.798 120.570 -0.001 0.000 2.505 517 I HA 0.093 4.263 4.170 -0.000 0.000 0.287 517 I C 0.192 176.336 176.117 0.045 0.000 1.104 517 I CA 0.429 61.740 61.300 0.018 0.000 1.387 517 I CB -0.181 37.831 38.000 0.020 0.000 1.404 517 I HN 0.556 nan 8.210 nan 0.000 0.528 518 T N 5.322 119.907 114.554 0.052 0.000 2.906 518 T HA 0.683 5.033 4.350 -0.000 0.000 0.295 518 T C -0.881 173.904 174.700 0.141 0.000 1.075 518 T CA -0.623 61.508 62.100 0.051 0.000 1.005 518 T CB 1.972 70.830 68.868 -0.016 0.000 1.136 518 T HN 0.552 nan 8.240 nan 0.000 0.498 519 Y N -1.287 118.999 120.300 -0.022 0.000 2.705 519 Y HA 0.846 5.396 4.550 -0.000 0.000 0.332 519 Y C -0.957 174.897 175.900 -0.077 0.000 1.221 519 Y CA -1.170 56.891 58.100 -0.065 0.000 1.059 519 Y CB 1.272 39.700 38.460 -0.054 0.000 1.298 519 Y HN 0.672 nan 8.280 nan 0.000 0.459 520 S N 1.190 116.954 115.700 0.107 0.000 2.541 520 S HA 0.600 5.070 4.470 -0.000 0.000 0.271 520 S C -2.205 172.412 174.600 0.029 0.000 1.133 520 S CA -0.795 57.423 58.200 0.030 0.000 0.876 520 S CB 1.068 64.335 63.200 0.111 0.000 1.105 520 S HN 0.695 nan 8.310 nan 0.000 0.470 521 N N 2.909 121.640 118.700 0.052 0.000 2.483 521 N HA 0.592 5.332 4.740 -0.000 0.000 0.267 521 N C -1.353 174.170 175.510 0.021 0.000 0.998 521 N CA -0.308 52.715 53.050 -0.046 0.000 0.918 521 N CB 0.977 39.467 38.487 0.004 0.000 1.215 521 N HN 0.594 nan 8.380 nan 0.000 0.500 522 F N -0.682 119.174 119.950 -0.156 0.000 2.591 522 F HA 0.708 5.235 4.527 -0.000 0.000 0.309 522 F C -1.015 174.668 175.800 -0.195 0.000 1.098 522 F CA -1.414 56.531 58.000 -0.091 0.000 0.937 522 F CB 0.701 39.703 39.000 0.003 0.000 1.250 522 F HN 0.122 nan 8.300 nan 0.000 0.447 523 W N 2.165 123.368 121.300 -0.162 0.000 2.183 523 W HA 0.511 5.171 4.660 -0.000 0.000 0.348 523 W C -1.004 175.515 176.519 -0.001 0.000 1.257 523 W CA -0.227 56.910 57.345 -0.346 0.000 1.324 523 W CB 0.830 29.665 29.460 -1.042 0.000 1.144 523 W HN 0.807 nan 8.180 nan 0.000 0.622 524 W N 2.741 124.204 121.300 0.272 0.000 3.274 524 W HA 0.486 5.146 4.660 -0.000 0.000 0.327 524 W C -1.597 175.190 176.519 0.447 0.000 1.172 524 W CA -1.399 56.201 57.345 0.424 0.000 1.217 524 W CB 1.287 30.907 29.460 0.267 0.000 1.376 524 W HN 0.238 nan 8.180 nan 0.000 0.507 525 K N 4.463 124.537 120.400 -0.543 0.000 2.541 525 K HA 0.694 5.014 4.320 -0.000 0.000 0.250 525 K C -0.638 175.252 176.600 -1.184 0.000 0.950 525 K CA -0.684 55.142 56.287 -0.768 0.000 0.805 525 K CB 1.536 33.842 32.500 -0.325 0.000 1.166 525 K HN 0.713 nan 8.250 nan 0.000 0.430 526 G N 1.191 109.280 108.800 -1.184 0.000 2.481 526 G HA2 0.510 4.470 3.960 -0.000 0.000 0.315 526 G HA3 0.510 4.470 3.960 -0.000 0.000 0.315 526 G C -1.168 173.908 174.900 0.294 0.000 1.231 526 G CA -0.489 44.406 45.100 -0.342 0.000 0.968 526 G HN 0.424 nan 8.290 nan 0.000 0.482 527 T N 1.797 116.556 114.554 0.341 0.000 2.934 527 T HA 0.325 4.675 4.350 -0.000 0.000 0.328 527 T C -0.942 173.833 174.700 0.126 0.000 1.068 527 T CA -0.329 61.930 62.100 0.265 0.000 1.018 527 T CB 1.068 69.994 68.868 0.097 0.000 1.009 527 T HN 0.334 nan 8.240 nan 0.000 0.471 528 L N 3.985 125.120 121.223 -0.146 0.000 2.272 528 L HA 0.637 4.977 4.340 -0.000 0.000 0.289 528 L C -0.227 176.430 176.870 -0.355 0.000 1.032 528 L CA 0.153 54.671 54.840 -0.536 0.000 0.810 528 L CB 1.062 42.154 42.059 -1.611 0.000 1.205 528 L HN 0.499 nan 8.230 nan 0.000 0.422 529 T N 5.873 120.212 114.554 -0.359 0.000 2.792 529 T HA 0.592 4.942 4.350 -0.000 0.000 0.280 529 T C -0.499 174.002 174.700 -0.332 0.000 0.990 529 T CA -0.029 61.940 62.100 -0.220 0.000 0.960 529 T CB 0.444 69.231 68.868 -0.135 0.000 0.939 529 T HN 0.272 nan 8.240 nan 0.000 0.439 530 F N 0.616 120.507 119.950 -0.099 0.000 2.613 530 F HA 0.709 5.236 4.527 -0.000 0.000 0.342 530 F C 0.920 176.684 175.800 -0.060 0.000 1.066 530 F CA -0.961 56.993 58.000 -0.077 0.000 1.002 530 F CB 1.946 40.954 39.000 0.013 0.000 1.319 530 F HN 0.274 nan 8.300 nan 0.000 0.495 531 T N 0.769 115.436 114.554 0.188 0.000 2.881 531 T HA 0.768 5.118 4.350 -0.000 0.000 0.290 531 T C -1.268 173.488 174.700 0.092 0.000 1.000 531 T CA -0.513 61.640 62.100 0.087 0.000 0.978 531 T CB 1.440 70.332 68.868 0.040 0.000 0.997 531 T HN 0.794 nan 8.240 nan 0.000 0.443 532 A N 3.075 125.920 122.820 0.042 0.000 2.594 532 A HA 0.864 5.184 4.320 -0.000 0.000 0.291 532 A C -1.237 176.346 177.584 -0.002 0.000 1.105 532 A CA -0.866 51.184 52.037 0.023 0.000 0.694 532 A CB 1.763 20.759 19.000 -0.008 0.000 1.291 532 A HN 0.681 nan 8.150 nan 0.000 0.410 533 K N 1.170 121.569 120.400 -0.000 0.000 2.207 533 K HA 0.599 4.919 4.320 -0.000 0.000 0.255 533 K C -0.348 176.248 176.600 -0.007 0.000 0.941 533 K CA -0.781 55.507 56.287 0.002 0.000 0.825 533 K CB 0.872 33.381 32.500 0.014 0.000 1.119 533 K HN 0.704 nan 8.250 nan 0.000 0.430 534 M N 3.094 122.699 119.600 0.009 0.000 2.198 534 M HA 0.200 4.680 4.480 -0.000 0.000 0.315 534 M C 0.632 176.937 176.300 0.007 0.000 1.134 534 M CA 0.122 55.432 55.300 0.016 0.000 1.171 534 M CB 0.458 33.094 32.600 0.061 0.000 1.413 534 M HN 0.683 nan 8.290 nan 0.000 0.467 535 R N 0.354 120.854 120.500 -0.001 0.000 2.700 535 R HA 0.797 5.137 4.340 -0.000 0.000 0.253 535 R C -0.809 175.490 176.300 -0.002 0.000 1.091 535 R CA -0.680 55.417 56.100 -0.004 0.000 1.104 535 R CB 0.910 31.201 30.300 -0.015 0.000 1.202 535 R HN 0.733 nan 8.270 nan 0.000 0.532 536 S N -0.777 114.921 115.700 -0.004 0.000 2.550 536 S HA 0.214 4.684 4.470 -0.000 0.000 0.270 536 S C -0.864 173.729 174.600 -0.011 0.000 1.145 536 S CA -1.002 57.194 58.200 -0.007 0.000 0.852 536 S CB 1.692 64.892 63.200 0.000 0.000 1.119 536 S HN 0.648 nan 8.310 nan 0.000 0.465 537 S N 1.452 117.140 115.700 -0.021 0.000 2.443 537 S HA 0.279 4.749 4.470 -0.000 0.000 0.284 537 S C 0.371 174.965 174.600 -0.010 0.000 1.206 537 S CA -0.369 57.814 58.200 -0.028 0.000 1.074 537 S CB -0.568 62.600 63.200 -0.052 0.000 0.963 537 S HN 0.674 nan 8.310 nan 0.000 0.501 538 N N 3.842 122.544 118.700 0.004 0.000 2.564 538 N HA 0.198 4.938 4.740 -0.000 0.000 0.202 538 N C 0.811 176.348 175.510 0.044 0.000 1.052 538 N CA 0.601 53.665 53.050 0.022 0.000 0.872 538 N CB 0.087 38.590 38.487 0.026 0.000 1.303 538 N HN 0.747 nan 8.380 nan 0.000 0.440 539 M N -1.760 117.868 119.600 0.047 0.000 1.917 539 M HA 0.142 4.622 4.480 -0.000 0.000 0.208 539 M C 1.217 177.590 176.300 0.122 0.000 1.215 539 M CA -0.367 54.988 55.300 0.092 0.000 0.944 539 M CB 0.408 33.057 32.600 0.082 0.000 1.225 539 M HN 0.041 nan 8.290 nan 0.000 0.519 540 W N 1.629 122.922 121.300 -0.013 0.000 2.630 540 W HA 0.076 4.736 4.660 -0.000 0.000 0.275 540 W C -0.085 176.422 176.519 -0.021 0.000 1.192 540 W CA 0.614 57.950 57.345 -0.016 0.000 1.410 540 W CB -0.000 29.451 29.460 -0.015 0.000 1.075 540 W HN 0.890 nan 8.180 nan 0.000 0.581 541 N N 2.348 121.107 118.700 0.097 0.000 2.515 541 N HA 0.288 5.028 4.740 -0.000 0.000 0.279 541 N C -2.377 173.088 175.510 -0.076 0.000 1.164 541 N CA -1.040 52.009 53.050 -0.003 0.000 0.982 541 N CB 0.324 38.877 38.487 0.109 0.000 1.170 541 N HN -0.163 nan 8.380 nan 0.000 0.474 542 P HA 0.258 nan 4.420 nan 0.000 0.276 542 P C -0.313 176.956 177.300 -0.052 0.000 1.252 542 P CA -0.542 62.505 63.100 -0.088 0.000 0.802 542 P CB 0.993 32.636 31.700 -0.096 0.000 1.035 543 I N -2.845 117.698 120.570 -0.045 0.000 3.617 543 I HA 0.485 4.655 4.170 -0.000 0.000 0.283 543 I C 0.299 176.399 176.117 -0.028 0.000 1.160 543 I CA -1.494 59.790 61.300 -0.026 0.000 1.084 543 I CB 0.865 38.861 38.000 -0.006 0.000 1.365 543 I HN 0.259 nan 8.210 nan 0.000 0.494 544 Q N 0.561 120.355 119.800 -0.010 0.000 2.535 544 Q HA 0.246 4.586 4.340 -0.000 0.000 0.228 544 Q C -1.279 174.700 176.000 -0.035 0.000 1.062 544 Q CA 0.134 55.917 55.803 -0.032 0.000 0.967 544 Q CB 0.627 29.345 28.738 -0.033 0.000 1.273 544 Q HN 0.540 nan 8.270 nan 0.000 0.554 545 Q N 1.307 121.079 119.800 -0.046 0.000 2.616 545 Q HA 0.040 4.380 4.340 -0.000 0.000 0.254 545 Q C -1.645 174.342 176.000 -0.022 0.000 0.975 545 Q CA -0.533 55.249 55.803 -0.035 0.000 0.976 545 Q CB 1.033 29.737 28.738 -0.055 0.000 1.594 545 Q HN 0.862 nan 8.270 nan 0.000 0.425 546 H N 1.470 120.494 119.070 -0.077 0.000 2.604 546 H HA 0.542 5.098 4.556 -0.000 0.000 0.306 546 H C -1.110 174.185 175.328 -0.056 0.000 1.075 546 H CA 0.550 56.565 56.048 -0.055 0.000 1.357 546 H CB 1.326 31.085 29.762 -0.005 0.000 1.426 546 H HN 0.613 nan 8.280 nan 0.000 0.470 547 T N 2.609 116.804 114.554 -0.598 0.000 2.724 547 T HA 0.355 4.705 4.350 -0.000 0.000 0.274 547 T C -0.641 173.790 174.700 -0.448 0.000 0.984 547 T CA -0.510 61.303 62.100 -0.478 0.000 1.024 547 T CB 1.126 69.860 68.868 -0.223 0.000 1.320 547 T HN 0.639 nan 8.240 nan 0.000 0.555 548 T N 2.110 116.529 114.554 -0.225 0.000 2.795 548 T HA 0.588 4.938 4.350 -0.000 0.000 0.282 548 T C -0.121 174.555 174.700 -0.040 0.000 0.980 548 T CA -0.589 61.458 62.100 -0.088 0.000 1.012 548 T CB 0.903 69.742 68.868 -0.049 0.000 0.936 548 T HN 0.802 nan 8.240 nan 0.000 0.457 549 T N -0.765 113.795 114.554 0.011 0.000 2.912 549 T HA 0.634 4.984 4.350 -0.000 0.000 0.288 549 T C 1.285 176.003 174.700 0.030 0.000 1.030 549 T CA -0.747 61.358 62.100 0.008 0.000 1.020 549 T CB 1.577 70.451 68.868 0.010 0.000 1.056 549 T HN 0.475 nan 8.240 nan 0.000 0.480 550 A N 0.833 123.664 122.820 0.019 0.000 2.259 550 A HA 0.056 4.376 4.320 -0.000 0.000 0.212 550 A C 1.420 179.021 177.584 0.027 0.000 1.178 550 A CA 0.812 52.863 52.037 0.024 0.000 0.734 550 A CB -0.767 18.241 19.000 0.014 0.000 0.774 550 A HN 0.933 nan 8.150 nan 0.000 0.481 551 E N -0.768 119.448 120.200 0.027 0.000 2.501 551 E HA 0.022 4.372 4.350 -0.000 0.000 0.200 551 E C 0.431 177.044 176.600 0.023 0.000 1.016 551 E CA 0.422 56.834 56.400 0.019 0.000 0.921 551 E CB 0.108 29.814 29.700 0.011 0.000 1.034 551 E HN 0.832 nan 8.360 nan 0.000 0.468 552 N N -0.575 118.157 118.700 0.054 0.000 2.028 552 N HA -0.037 4.703 4.740 -0.000 0.000 0.230 552 N C 1.229 176.801 175.510 0.104 0.000 1.354 552 N CA -0.057 53.029 53.050 0.059 0.000 0.855 552 N CB -0.394 38.169 38.487 0.126 0.000 1.111 552 N HN -0.035 nan 8.380 nan 0.000 0.480 553 I N 1.264 121.938 120.570 0.172 0.000 2.236 553 I HA -0.054 4.116 4.170 -0.000 0.000 0.249 553 I C 2.450 178.658 176.117 0.152 0.000 1.102 553 I CA 1.579 63.028 61.300 0.248 0.000 1.365 553 I CB -1.424 36.669 38.000 0.154 0.000 1.051 553 I HN 0.274 nan 8.210 nan 0.000 0.420 554 G N 0.971 109.810 108.800 0.066 0.000 2.545 554 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.222 554 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.222 554 G C 1.466 176.369 174.900 0.006 0.000 1.126 554 G CA 1.448 46.569 45.100 0.035 0.000 0.754 554 G HN 0.645 nan 8.290 nan 0.000 0.583 555 N N -0.962 117.669 118.700 -0.115 0.000 2.494 555 N HA -0.000 4.740 4.740 -0.000 0.000 0.182 555 N C 0.454 175.774 175.510 -0.316 0.000 1.076 555 N CA 0.407 53.316 53.050 -0.236 0.000 0.908 555 N CB 0.037 38.252 38.487 -0.452 0.000 0.967 555 N HN 0.466 nan 8.380 nan 0.000 0.449 556 Y N 0.259 120.671 120.300 0.188 0.000 2.660 556 Y HA 0.458 5.008 4.550 -0.000 0.000 0.254 556 Y C -0.123 175.873 175.900 0.159 0.000 1.176 556 Y CA -0.277 57.941 58.100 0.195 0.000 1.195 556 Y CB 0.479 39.050 38.460 0.186 0.000 1.190 556 Y HN -0.106 nan 8.280 nan 0.000 0.535 557 I N 2.341 123.038 120.570 0.212 0.000 2.619 557 I HA 0.343 4.513 4.170 -0.000 0.000 0.292 557 I C -2.203 173.977 176.117 0.104 0.000 1.100 557 I CA -2.328 59.062 61.300 0.149 0.000 1.043 557 I CB 2.737 40.806 38.000 0.115 0.000 1.239 557 I HN -0.147 nan 8.210 nan 0.000 0.420 558 P HA 0.069 nan 4.420 nan 0.000 0.278 558 P C -0.327 176.989 177.300 0.028 0.000 1.270 558 P CA -0.049 63.081 63.100 0.051 0.000 0.800 558 P CB 0.596 32.310 31.700 0.023 0.000 1.142 559 T N 0.248 114.808 114.554 0.009 0.000 2.952 559 T HA 0.146 4.496 4.350 -0.000 0.000 0.286 559 T C 1.420 176.118 174.700 -0.004 0.000 1.024 559 T CA -0.633 61.467 62.100 -0.000 0.000 1.029 559 T CB 0.247 69.106 68.868 -0.015 0.000 1.094 559 T HN 0.445 nan 8.240 nan 0.000 0.515 560 N N 1.758 120.456 118.700 -0.004 0.000 2.635 560 N HA -0.060 4.680 4.740 -0.000 0.000 0.191 560 N C 1.095 176.600 175.510 -0.008 0.000 1.155 560 N CA 1.039 54.086 53.050 -0.005 0.000 0.927 560 N CB -0.054 38.431 38.487 -0.003 0.000 0.976 560 N HN 0.582 nan 8.380 nan 0.000 0.448 561 I N -1.907 118.656 120.570 -0.011 0.000 4.312 561 I HA 0.238 4.408 4.170 -0.000 0.000 0.324 561 I C 1.034 177.143 176.117 -0.014 0.000 1.298 561 I CA 0.420 61.712 61.300 -0.013 0.000 1.231 561 I CB 0.574 38.564 38.000 -0.017 0.000 1.152 561 I HN 0.247 nan 8.210 nan 0.000 0.421 562 G N 1.563 110.354 108.800 -0.015 0.000 2.148 562 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.120 562 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.120 562 G C 0.402 175.291 174.900 -0.020 0.000 1.034 562 G CA -0.393 44.704 45.100 -0.006 0.000 0.710 562 G HN 0.471 nan 8.290 nan 0.000 0.495 563 G N -0.152 108.624 108.800 -0.041 0.000 2.432 563 G HA2 0.636 4.596 3.960 -0.000 0.000 0.257 563 G HA3 0.636 4.596 3.960 -0.000 0.000 0.257 563 G C -0.188 174.673 174.900 -0.066 0.000 1.238 563 G CA -0.284 44.765 45.100 -0.085 0.000 0.838 563 G HN 0.668 nan 8.290 nan 0.000 0.547 564 I N 0.779 121.267 120.570 -0.136 0.000 2.686 564 I HA 0.496 4.666 4.170 -0.000 0.000 0.295 564 I C -0.078 175.979 176.117 -0.099 0.000 1.114 564 I CA -0.891 60.352 61.300 -0.094 0.000 1.038 564 I CB 2.613 40.484 38.000 -0.215 0.000 1.238 564 I HN 0.466 nan 8.210 nan 0.000 0.420 565 R N 4.961 125.477 120.500 0.027 0.000 2.892 565 R HA 0.735 5.075 4.340 -0.000 0.000 0.265 565 R C -0.695 175.666 176.300 0.102 0.000 1.025 565 R CA -0.983 55.086 56.100 -0.051 0.000 0.982 565 R CB 2.003 32.261 30.300 -0.070 0.000 1.185 565 R HN 0.472 nan 8.270 nan 0.000 0.484 566 M N 2.129 121.682 119.600 -0.078 0.000 4.125 566 M HA 0.259 4.739 4.480 -0.000 0.000 0.476 566 M C -1.441 174.782 176.300 -0.129 0.000 1.980 566 M CA -0.280 55.033 55.300 0.021 0.000 0.547 566 M CB 0.660 33.259 32.600 -0.001 0.000 1.434 566 M HN 0.530 nan 8.290 nan 0.000 0.548 567 F N 3.592 123.526 119.950 -0.027 0.000 2.572 567 F HA 0.157 4.684 4.527 -0.000 0.000 0.370 567 F C -1.205 174.487 175.800 -0.181 0.000 1.103 567 F CA -0.503 57.412 58.000 -0.142 0.000 1.286 567 F CB 0.212 39.134 39.000 -0.130 0.000 1.105 567 F HN 0.225 nan 8.300 nan 0.000 0.583 568 P HA 0.050 nan 4.420 nan 0.000 0.269 568 P C -1.192 176.029 177.300 -0.131 0.000 1.215 568 P CA -0.024 62.846 63.100 -0.382 0.000 0.780 568 P CB 0.862 32.009 31.700 -0.921 0.000 0.898 569 E N 0.513 120.676 120.200 -0.062 0.000 2.317 569 E HA 0.312 4.662 4.350 -0.000 0.000 0.270 569 E C -0.556 176.163 176.600 0.199 0.000 0.885 569 E CA -0.760 55.693 56.400 0.088 0.000 0.760 569 E CB 0.879 30.589 29.700 0.015 0.000 1.227 569 E HN 0.317 nan 8.360 nan 0.000 0.434 570 Y N 1.040 121.461 120.300 0.201 0.000 2.709 570 Y HA 0.064 4.614 4.550 -0.000 0.000 0.348 570 Y C 1.053 177.128 175.900 0.292 0.000 1.267 570 Y CA 0.226 58.498 58.100 0.287 0.000 1.486 570 Y CB 0.345 38.886 38.460 0.134 0.000 1.356 570 Y HN 0.425 nan 8.280 nan 0.000 0.639 571 S N -0.449 115.537 115.700 0.476 0.000 2.618 571 S HA 0.462 4.932 4.470 -0.000 0.000 0.277 571 S C -0.864 173.860 174.600 0.206 0.000 1.138 571 S CA -1.020 57.394 58.200 0.357 0.000 0.844 571 S CB 2.091 65.541 63.200 0.417 0.000 1.127 571 S HN 0.740 nan 8.310 nan 0.000 0.474 572 Q N 0.109 119.961 119.800 0.086 0.000 2.493 572 Q HA -0.119 4.221 4.340 -0.000 0.000 0.278 572 Q C 0.491 176.526 176.000 0.057 0.000 1.216 572 Q CA 0.914 56.766 55.803 0.081 0.000 0.875 572 Q CB -1.959 26.859 28.738 0.133 0.000 1.262 572 Q HN 0.809 nan 8.270 nan 0.000 0.468 573 L N -3.041 118.190 121.223 0.014 0.000 2.627 573 L HA 0.358 4.698 4.340 -0.000 0.000 0.232 573 L C 0.454 177.385 176.870 0.102 0.000 1.150 573 L CA 0.078 54.883 54.840 -0.058 0.000 0.917 573 L CB -0.060 41.970 42.059 -0.049 0.000 1.104 573 L HN 0.119 nan 8.230 nan 0.000 0.445 574 I N 3.406 124.108 120.570 0.220 0.000 2.312 574 I HA 0.347 4.517 4.170 -0.000 0.000 0.290 574 I C -2.018 174.239 176.117 0.234 0.000 1.008 574 I CA -2.164 59.257 61.300 0.203 0.000 1.226 574 I CB 1.490 39.538 38.000 0.079 0.000 1.371 574 I HN -0.085 nan 8.210 nan 0.000 0.468 575 P HA -0.002 nan 4.420 nan 0.000 0.265 575 P C -0.819 176.441 177.300 -0.067 0.000 1.187 575 P CA 0.030 63.008 63.100 -0.202 0.000 0.766 575 P CB 0.945 32.596 31.700 -0.081 0.000 0.820 576 R N 1.931 122.403 120.500 -0.047 0.000 2.604 576 R HA 0.326 4.666 4.340 -0.000 0.000 0.281 576 R C -0.433 175.926 176.300 0.099 0.000 1.020 576 R CA -0.882 55.241 56.100 0.039 0.000 0.899 576 R CB 1.840 32.151 30.300 0.017 0.000 1.205 576 R HN 0.306 nan 8.270 nan 0.000 0.450 577 K N 2.763 123.216 120.400 0.089 0.000 2.276 577 K HA 0.116 4.436 4.320 -0.000 0.000 0.259 577 K C 0.386 176.969 176.600 -0.028 0.000 1.001 577 K CA 0.031 56.352 56.287 0.056 0.000 0.927 577 K CB 0.806 33.338 32.500 0.053 0.000 0.969 577 K HN 0.516 nan 8.250 nan 0.000 0.490 578 L N 1.289 122.454 121.223 -0.097 0.000 2.766 578 L HA 0.229 4.569 4.340 -0.000 0.000 0.241 578 L C -0.655 176.250 176.870 0.058 0.000 1.080 578 L CA -0.104 54.695 54.840 -0.068 0.000 0.909 578 L CB 0.589 42.538 42.059 -0.184 0.000 1.277 578 L HN 0.659 nan 8.230 nan 0.000 0.510 579 Y N 0.000 120.216 120.300 -0.140 0.000 2.660 579 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 579 Y CA 0.000 58.041 58.100 -0.098 0.000 1.940 579 Y CB 0.000 38.391 38.460 -0.114 0.000 1.050 579 Y HN 0.000 nan 8.280 nan 0.000 0.758